AG003KMU

586-89-0 | 4-Acetylbenzoic Acid

AG003KMU

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CAS Number	586-89-0
Catalog Number	AG003KMU(AGN-PC-004CA6)
Chemical Name	4-Acetylbenzoic Acid
EC Number	209-588-5
IUPAC Name	4-acetylbenzoic acid
InChI	InChI=1S/C9H8O3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3,(H,11,12)
InChI Key	QBHDSQZASIBAAI-UHFFFAOYSA-N
MDL Number	MFCD00002561
Molecular Formula	C9H8O3
Molecular Weight	164.1580
NSC Number	16644
SMILES	O=C(O)c1ccc(cc1)C(=O)C
Synonyms	4-acetylbenzoic acid, 4-ACETYLBENZOIC ACID, 586-89-0, Benzoic acid, 4-acetyl-, 4-Acetyl-benzoic acid, p-acetylbenzoic acid, 4'-Acetophenonecarboxylic Acid, 4-Acetylbenzoic acid, 98%, Acetophenone-4'-carboxylic acid, QBHDSQZASIBAAI-UHFFFAOYSA-N, MFCD00002561, NSC16644, 4-acetylbezoic acid, EINECS 209-588-5, 4-Acetylbenzoci acid, PubChem3129, 4-acetyl benzoic acid, 4-(acetyl)benzoic acid, AC1L1XFA, AC1Q1JNW, AC1Q1JNX, ACMC-209m6h, KSC235E6P, SCHEMBL211540, Acetophenone-4-carboxylic acid, CHEMBL130010, DTXSID30207323, ACT00376, ZINC1747138, 4-ACETOPHENONECARBOXYLIC ACID, ANW-33015, CA-374, NSC-16644, SBB051425, AKOS005207115, CM12342, CS-W001939, FR-2386, GS-3274, MCULE-5486422687, RTC-062020, TRA0057938, VZ28165, AC-18314, AJ-31431, AK-45767, AN-46137, AT-11509, BC213536, BR-45767, SC-05547, SY012789, U400, AB0004249, AB1003386, DB-005323, ST2411050, TC-062020, TL8003755, AM20061140, FT-0082573, FT-0600907, ST45028131, EN300-31858, KS-00000240, MFCD00002561 (98%), A20110, M-4705, AE-562/42531783, I01-0567, W-105367, F0001-1531, Z1235963281, Acetophenone-4'-carboxylic acid C9H8O3 164.16 208-212 degrees 586-89-0 209-588-5 MFCD00002561 N, 4-Acetylbenzoicacid, 4-carboxyacetophenone, C9H8O3, C9-H8-O3, CID11470, 4-Acetylbenzoic acid, 98% - 1G 1g, A1024,

Complexity	190
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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number