AG00C110

400746-01-2 | 3-(5-Methyl-2-furyl)benzoic Acid

AG00C110

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CAS Number	400746-01-2
Catalog Number	AG00C110(AGN-PC-0WB39X)
Chemical Name	3-(5-Methyl-2-furyl)benzoic Acid
IUPAC Name	3-(5-methylfuran-2-yl)benzoic acid
InChI	InChI=1S/C12H10O3/c1-8-5-6-11(15-8)9-3-2-4-10(7-9)12(13)14/h2-7H,1H3,(H,13,14)
InChI Key	ZGYKYVFYWKVVED-UHFFFAOYSA-N
MDL Number	MFCD04039129
Molecular Formula	C12H10O3
Molecular Weight	202.2060
SMILES	O=C(O)C1=CC=CC(C2=CC=C(C)O2)=C1
Synonyms	3-(5-methyl-2-furyl)benzoic Acid, 400746-01-2, 3-(5-methylfuran-2-yl)benzoic acid, AC1N3A0S, SCHEMBL13704119, CTK4I2397, DTXSID90399137, ZINC2525675, MFCD04039129, AKOS004116970, 3-(5-Methyl-furan-2-yl)-benzoic acid, AJ-37495, DA-18674, BB 0224080, FT-0705818, 3-(5-Methyl-2-furyl)benzoic acid, AldrichCPR, Y-1095, CID4084170,

Complexity	239
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	202.063g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	202.209g/mol
Monoisotopic Mass	202.063g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	50.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H319
Packing Group	\N
Precautionary statements	P305+P351+P338
UN Code	\N

Certificate of Analysis

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