AG0007A2

102362-00-5 | 4-cyano-3-methoxybenzoic acid

AG0007A2

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CAS Number	102362-00-5
Catalog Number	AG0007A2(AGN-PC-022DXQ)
Chemical Name	4-cyano-3-methoxybenzoic acid
IUPAC Name	4-cyano-3-methoxybenzoic acid
InChI	InChI=1S/C9H7NO3/c1-13-8-4-6(9(11)12)2-3-7(8)5-10/h2-4H,1H3,(H,11,12)
InChI Key	MBHJRZMASFIJBE-UHFFFAOYSA-N
MDL Number	MFCD18203531
Molecular Formula	C9H7NO3
Molecular Weight	177.1568
SMILES	C(#N)C1=C(C=C(C(=O)O)C=C1)OC
Synonyms	4-Cyano-3-methoxybenzoic acid, 102362-00-5, SCHEMBL1757097, MBHJRZMASFIJBE-UHFFFAOYSA-N, Benzoic acid, 4-cyano-3-methoxy-, MFCD18203531, AKOS025287170, ZINC117014041, AS-44515, SC-83234, Z2512942973,

Complexity	243
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.043g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	177.159g/mol
Monoisotopic Mass	177.043g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	70.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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