Results for:
PubChem ID: 11902

Methyl Furan-2-carboxylate

Mass-Spectra

Compound Details

Synonymous names	HDJLSECJEQSPKW-UHFFFAOYSA-N Methyl pyromucate METHYL FUROATE Methyl 2-furancarboxylate Methyl 2-furylcarboxylate Pyromucic acid methyl ester Furancarboxylic acid, methyl ester Furoic acid methyl ester 2-Furancarboxylic Acid Methyl Ester Methyl furan-2-carboxylate 2-(Methoxycarbonyl)furan Methyl 2-furoate METHYL-2-FUROATE AC1L1YE9 2-methyl furate ACMC-1BVH2 O9A8D29YDE PubChem7090 M650 KSC493E6P Furoic acid, methyl ester UNII-WS10TS94NA component HDJLSECJEQSPKW-UHFFFAOYSA-N furan-2-carboxylic acid methyl Methyl .alpha.-furoate UNII-O9A8D29YDE 2-furan carboxylic acid methyl ester furan-2-carboxylic acid methyl ester 2-Furancarboxylic acid, methyl ester F0075 2-Furoic acid methyl ester CTK3J3267 RL04304 RP19666 SCHEMBL363937 NSC35551 VZ32543 CCRIS 2158 ZINC388192 HE000442 DTXSID7060598 STK397389 ZB011347 LS-2926 Furan-.alpha.-carboxylic acid methyl ester BC218745 SBB059585 WLN: T5OJ BVO1 M-6041 2-FUROIC ACID, METHYL ESTER AJ-20482 NSC-35551 NSC 35551 SC-50813 ST2413494 TRA0032626 TRA0065124 AK-73007 BR-73007 KB-86363 ANW-75614 AN-21620 MFCD00003236 ZINC00388192 ST50715784 RTR-021059 TR-021059 Methyl 2-furoate, 98% KB-114546 DB-003714 AM20100488 AI3-23585 Q-100703 I14-1083 AKOS000120062 FT-0612467 BRN 0111110 FEMA No. 2703 I14-23319 I14-21911 I14-13671 611-13-2 Methyl 2-furoate, >=98%, FG MCULE-5445948487 EINECS 210-254-6 Methyl 2-furoate, natural, 99%, FG MolPort-001-769-056 5-18-06-00103 (Beilstein Handbook Reference)
Microorganism:	Yes
IUPAC name	methyl furan-2-carboxylate
SMILES	COC(=O)C1=CC=CO1
Inchi	InChI=1S/C6H6O3/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3
Formula	C6H6O3
PubChem ID	11902
Molweight	126.111
LogP	1.04
Atoms	15
Bonds	15
H-bond Acceptor	1
H-bond Donor	0
Chemical Classification	Furan Esters furans ethers heterocyclic compounds

mVOC Specific Details

MS-Links	MS-MS Spectrum 9533 MS-MS Spectrum 16206 MS-MS Spectrum 9535 MS-MS Spectrum 16205 MS-MS Spectrum 16207 MS-MS Spectrum 9534
1D-NMR-Links	1D NMR Spectrum 3927 1D NMR Spectrum 4206

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Bacteria Loktanella Sp. n/a Schulz and Dickschat, 2007 Bacteria Nannocystis Exedens Na EB37 n/a Dickschat et al., 2007 Bacteria Nannocystis Exedens Subsp. Cinnabarina Na C29 n/a Dickschat et al., 2007 Fungi Armillaria Mellea n/a Mueller et al., 2013 Fungi Pholiota Squarrosa n/a Mueller et al., 2013 Fungi Stropharia Rugosoannulata n/a Mueller et al., 2013 Fungi Trichoderma Viride n/a Mueller et al., 2013 Fungi Verticillium Longisporum n/a Mueller et al., 2013 Bacteria Salinispora Tropica CNB-440 na marine sediment Groenhagen et al., 2016 Bacteria Loktanella Sp. Bio-204 n/a Dickschat et al., 2005_4

Method

Kingdom Species Growth Medium Applied Method Verification Bacteria Loktanella Sp. n/a n/a Bacteria Nannocystis Exedens Na EB37 n/a n/a Bacteria Nannocystis Exedens Subsp. Cinnabarina Na C29 n/a n/a Fungi Armillaria Mellea Melin-Nor krans synthetic medium (modified) Headspace trapping ( using stir bar sorptive extraction )/ GC-MS Fungi Pholiota Squarrosa Melin-Nor krans synthetic medium (modified) Headspace trapping ( using stir bar sorptive extraction )/ GC-MS Fungi Stropharia Rugosoannulata Melin-Nor krans synthetic medium (modified) Headspace trapping ( using stir bar sorptive extraction )/ GC-MS Fungi Trichoderma Viride Melin-Nor krans synthetic medium (modified) Headspace trapping ( using stir bar sorptive extraction )/ GC-MS Fungi Verticillium Longisporum Melin-Nor krans synthetic medium (modified) Headspace trapping ( using stir bar sorptive extraction )/ GC-MS Bacteria Salinispora Tropica CNB-440 seawater-based A1 GC/MS Bacteria Loktanella Sp. Bio-204 n/a n/a