5-methylfuran-2-carboxylic acid
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5-methylfuran-2-carboxylic acid
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CAS No:
1917-15-3
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Formula:
C6H6O3
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Chemical Name:
5-methylfuran-2-carboxylic acid
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Synonyms:
5-methylfuran-2-carboxylic acid;1917-15-3;5-methyl-2-furoic acid;5-Methyl-furan-2-carboxylic acid;2-Furancarboxylic acid, 5-methyl-;5-Methyl-2-furancarboxylic acid;5-Methylpyromucic acid;MFCD00092359;UNII-3J3M51P3V4;CHEBI:89918;3J3M51P3V4;DSSTox_CID_1627;DSSTox_RID_76243;DSSTox_GSID_21627;CAS-1917-15-3;5-Methylfuran-2-carboxylicacid;Enamine_005593;SCHEMBL143244;CHEMBL3183624;DTXSID5021627;ZINC62699;5-methyl-2-furanecarboxylic acid;5-Methyl-2-furoic acid, 97%;5-Methyl furan-2-carboxylic acid;HMS1409O05;ACT08259;ALBB-026656;NSC35552;Tox21_202200;Tox21_302827;ANW-49980;GEO-01824;NSC 35552;NSC-35552;RW3784;SBB005609;STK397467;AKOS000295878;CS-W002363;MCULE-6590848957;QC-3303;RS-0369;VZ30481;NCGC00249186-01;NCGC00256378-01;NCGC00259749-01;AK-44799;BP-10492;ST082328;SY033736;AB0023116;AM20090119;BB 0219916;FT-0620607;W4112;AZ0001-0566;EN300-05385;S-2027;917M153;W-200194;Q27162102;Z56895714;2K1
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CAS No:
Description
5-methylfuran-2-carboxylic acid is a member of the class of furoic acids that is 2-furoic acid substituted at position 5 by a methyl group. It has a role as a human urinary metabolite and a rat metabolite.
5-methylfuran-2-carboxylic acid Basic Attributes
126.11 g/mol
126.031694049 g/mol
3J3M51P3V4
35552
DTXSID5021627
Safety Information
|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:126.11
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:126.031694049
Monoisotopic Mass:126.031694049
Topological Polar Surface Area:50.4
Heavy Atom Count:9
Complexity:122
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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