AG002FFC

1917-15-3 | 2-Furancarboxylic acid, 5-methyl-

AG002FFC

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CAS Number	1917-15-3
Catalog Number	AG002FFC(AGN-PC-0JLBSO)
Chemical Name	2-Furancarboxylic acid, 5-methyl-
IUPAC Name	5-methylfuran-2-carboxylic acid
InChI	InChI=1S/C6H6O3/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3,(H,7,8)
InChI Key	OVOCLWJUABOAPL-UHFFFAOYSA-N
MDL Number	MFCD00092359
Molecular Formula	C6H6O3
Molecular Weight	126.1100
NSC Number	35552
SMILES	C1=C(OC(=C1)C)C(O)=O
UNII	3J3M51P3V4
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, UNII-3J3M51P3V4, CHEBI:89918, 3J3M51P3V4, MFCD00092359, DSSTox_CID_1627, DSSTox_RID_76243, DSSTox_GSID_21627, CAS-1917-15-3, 5-Methylfuran-2-carboxylicacid, Enamine_005593, AC1L2MHP, AC1Q2QTC, AC1Q2MO1, SCHEMBL143244, CHEMBL3183624, DTXSID5021627, CTK4E0771, ZINC62699, 5-methyl-2-furanecarboxylic acid, 5-Methyl-2-furoic acid, 97%, 2-Furancarboxylic acid,5-methyl-, 5-Methyl furan-2-carboxylic acid, OVOCLWJUABOAPL-UHFFFAOYSA-N, HMS1409O05, ACT08259, ALBB-026656, NSC35552, Tox21_202200, Tox21_302827, ANW-49980, CM-992, GEO-01824, NSC-35552, RW3784, SBB005609, STK397467, AKOS000295878, CS-W002363, MCULE-6590848957, QC-3303, RS-0369, TRA0067380, VZ30481, NCGC00249186-01, NCGC00256378-01, NCGC00259749-01, AJ-09984, AK-44799, AN-50097, BAS 02788557, BP-10492, BR-44799, EN002869, SC-20513, ST082328, SY033736, AB0023116, ST2418822, TR-032592, AM20090119, BB 0219916, FT-0620607, W4112, AZ0001-0566, EN300-05385, MFCD00092359 (97%), S-2027, 917M153, I04-4578, W-200194, Z56895714, 2K1, C6H6O3, C6-H6-O3, CID74710, AR-1G8869, ACN-001660, A4228, 19614-67-6,

Complexity	122
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	126.032g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	126.111g/mol
Monoisotopic Mass	126.032g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319-H412
Packing Group
Precautionary statements	P273-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number