AG00ECQF

59304-40-4 | 4-methylfuran-2-carboxylic acid

AG00ECQF

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CAS Number	59304-40-4
Catalog Number	AG00ECQF(AGN-PC-0WCKMN)
Chemical Name	4-methylfuran-2-carboxylic acid
IUPAC Name	4-methylfuran-2-carboxylic acid
InChI	InChI=1S/C6H6O3/c1-4-2-5(6(7)8)9-3-4/h2-3H,1H3,(H,7,8)
InChI Key	UOJBPVNHCNJBSQ-UHFFFAOYSA-N
MDL Number	MFCD19228695
Molecular Formula	C6H6O3
Molecular Weight	126.1100
SMILES	O=C(C1=CC(C)=CO1)O
Synonyms	4-methylfuran-2-carboxylic acid, 59304-40-4, 2-Furancarboxylic acid, 4-methyl-, SCHEMBL183475, MFCD19228695, ZINC39199132, AKOS006375881, CS-W007308, SB11579, AS-51404, FT-0734249, Z2805877127, trans-3-Oxabicyclo[3.1.0]hexane-6-methylamine, 909406-64-0,

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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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