AG0033KH

586-42-5 | 3-Acetylbenzoic acid

AG0033KH

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CAS Number	586-42-5
Catalog Number	AG0033KH(AGN-PC-0JNA4Q)
Chemical Name	3-Acetylbenzoic acid
IUPAC Name	3-acetylbenzoic acid
InChI	InChI=1S/C9H8O3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5H,1H3,(H,11,12)
InChI Key	CHZPJUSFUDUEMZ-UHFFFAOYSA-N
MDL Number	MFCD00045847
Molecular Formula	C9H8O3
Molecular Weight	164.1580
NSC Number	2932
SMILES	C(C)(=O)C=1C=C(C(=O)O)C=CC1
Synonyms	3-Acetylbenzoic acid, 586-42-5, m-acetylbenzoic acid, Benzoic acid, 3-acetyl-, 3-Acetylbenzoicacid, 3-Acetophenonecarboxylic Acid, MFCD00045847, ACETOPHENONE-3-CARBOXYLIC ACID, NSC2932, 3-acetyl benzoic acid, 3-acetyl-benzoic acid, AC1Q1JVK, hypnone-m-carboxylic acid, AC1L58MJ, AC1Q5U2R, 3-(1-Oxoethyl)benzoic acid, 3-Acetylbenzoic acid, 98%, KSC273O8R, SCHEMBL246827, 3'-Acetophenonecarboxylic Acid, ACMC-209m64, benzoyl methide-m-carboxylic acid, CHZPJUSFUDUEMZ-UHFFFAOYSA-, CTK1H3788, DTXSID40277572, EBD7529, CHZPJUSFUDUEMZ-UHFFFAOYSA-N, ACT07889, ALBB-006410, KS-00000WM8, NSC-2932, ZINC1641228, ANW-33002, KM0217, SBB048202, STK503902, AKOS005171601, methyl phenyl ketone-m-carboxylic acid, CM12340, CS-W018492, MCULE-7817168085, PS-3016, RTR-020373, VZ26226, AJ-28615, AN-46128, SC-21464, SY010673, AB0033944, DB-022168, TR-020373, FT-0632448, ST50405626, X8020, 34580-EP2301536A1, 34580-EP2301538A1, 34580-EP2311455A1, MFCD00045847 (97+%), AE-562/43460672, I01-0333, InChI=1/C9H8O3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5H,1H3,(H,11,12), Acetophenone-3'-carboxylic acid C9H8O3 164.16 162-166 degrees 586-42-5 MFCD00045847 N, C9H8O3, AR-1F1627, CID220324, ACN-051667, 3-Acetylbenzoic acid, 97% - 1G 1g, A1652, 651-36-5,

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.047g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	164.16g/mol
Monoisotopic Mass	164.047g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number