AG003ISW

6304-89-8 | 3-Acetoxybenzoic acid

AG003ISW

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CAS Number	6304-89-8
Catalog Number	AG003ISW(AGN-PC-0JOEA2)
Chemical Name	3-Acetoxybenzoic acid
IUPAC Name	3-acetyloxybenzoic acid
InChI	InChI=1S/C9H8O4/c1-6(10)13-8-4-2-3-7(5-8)9(11)12/h2-5H,1H3,(H,11,12)
InChI Key	NGMYCWFGNSXLMP-UHFFFAOYSA-N
MDL Number	MFCD00016699
Molecular Formula	C9H8O4
Molecular Weight	180.1574
NSC Number	43147
SMILES	O=C(O)C1=CC=CC(OC(C)=O)=C1
Synonyms	3-Acetoxybenzoic acid, 6304-89-8, 3-(acetyloxy)benzoic acid, 3-acetyloxybenzoic acid, 3-Acetoxybenzoic acid, 98%, Benzoic acid,3-(acetyloxy)-, NSC43147, 3-Acetoxybenzoesaure, ACMC-20anav, 3-acetoxy benzoic acid, 3-acetoxy-benzoic acid, Benzoic acid, m-acetoxy, AC1Q1LAA, AC1Q1LAB, AC1L61IE, AC1Q60SG, SCHEMBL258461, CTK5B7285, DTXSID90285889, NGMYCWFGNSXLMP-UHFFFAOYSA-N, ZINC403231, NSC-43147, AKOS005068238, MCULE-8230881692, NE55222, TRA0039363, VZ26212, AJ-21993, SC-95060, DB-054392, TC-169870, FT-0636086, ST51038474, X8019, EN300-53676, I01-18527, F0001-1711, Z1259273332, 3-ACETOXYBENZOICACID, C9H8O4, AR-1F1573, CID238669, 69672-40-8,

Complexity	212
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.042g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	180.159g/mol
Monoisotopic Mass	180.042g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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