AG00C8TY

37901-92-1 | 4-(acetylamino)-3-methylbenzoic acid

AG00C8TY

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CAS Number	37901-92-1
Catalog Number	AG00C8TY(AGN-PC-0KNVWX)
Chemical Name	4-(acetylamino)-3-methylbenzoic acid
IUPAC Name	4-acetamido-3-methylbenzoic acid
InChI	InChI=1S/C10H11NO3/c1-6-5-8(10(13)14)3-4-9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12)(H,13,14)
InChI Key	WCQSEJSRAJSUSS-UHFFFAOYSA-N
MDL Number	MFCD08691999
Molecular Formula	C10H11NO3
Molecular Weight	193.1992
SMILES	O=C(O)C1=CC=C(NC(C)=O)C(C)=C1
UNII	717B5T8C9H
Synonyms	4-acetamido-3-methylbenzoic acid, 37901-92-1, 4-(Acetylamino)-3-methylbenzoic acid, UNII-717B5T8C9H, Benzoic acid, 4-(acetylamino)-3-methyl-, 717B5T8C9H, AC1Q1KI0, AC1MI247, SCHEMBL3586872, CTK4H8973, DTXSID10191332, WCQSEJSRAJSUSS-UHFFFAOYSA-N, MFCD08691999, ZINC19094427, AKOS000104746, DS-5404, MCULE-5310710470, N-acetyl-4-amino-3-methylbenzoic acid, AJ-72454, AK111992, FT-0756494, EN300-41257, Y-4634, Z224251106, C10-H11-N-O3, CID3015948,

Complexity	240
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	193.074g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	193.202g/mol
Monoisotopic Mass	193.074g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number