AG006MVM

67014-02-2 | 4-Acetylbenzamide

AG006MVM

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CAS Number	67014-02-2
Catalog Number	AG006MVM(AGN-PC-0NGV97)
Chemical Name	4-Acetylbenzamide
IUPAC Name	4-acetylbenzamide
InChI	InChI=1S/C9H9NO2/c1-6(11)7-2-4-8(5-3-7)9(10)12/h2-5H,1H3,(H2,10,12)
InChI Key	WAHWLAFXEOULIP-UHFFFAOYSA-N
MDL Number	MFCD18801020
Molecular Formula	C9H9NO2
Molecular Weight	163.1733
SMILES	O=C(N)C1=CC=C(C(C)=O)C=C1
Synonyms	4-acetylbenzamide, 67014-02-2, 4-acetyl-benzamide, Benzamide, 4-acetyl-, SCHEMBL1718746, CTK1J4008, DTXSID80457174, WAHWLAFXEOULIP-UHFFFAOYSA-N, ZINC38312260, AKOS022189300, AJ-94999, Benzamide, 4-acetyl- (9CI), CID11159497,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	163.063g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	163.176g/mol
Monoisotopic Mass	163.063g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	60.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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