AG0030P9

306297-19-8 | 4-Cyano-2，6-dimethylbenzoic acid

AG0030P9

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CAS Number	306297-19-8
Catalog Number	AG0030P9(AGN-PC-03A2EI)
Chemical Name	4-Cyano-2，6-dimethylbenzoic acid
IUPAC Name	4-cyano-2,6-dimethylbenzoic acid
InChI	InChI=1S/C10H9NO2/c1-6-3-8(5-11)4-7(2)9(6)10(12)13/h3-4H,1-2H3,(H,12,13)
InChI Key	DTIYQZWKQOIDBX-UHFFFAOYSA-N
MDL Number	MFCD20641932
Molecular Formula	C10H9NO2
Molecular Weight	175.1840
SMILES	CC1=C(C(O)=O)C(C)=CC(C#N)=C1
Synonyms	4-cyano-2,6-dimethylbenzoic acid, 306297-19-8, Benzoic acid, 4-cyano-2,6-dimethyl-, AK172813, SCHEMBL3758179, KS-00000SZJ, DTIYQZWKQOIDBX-UHFFFAOYSA-N, 4-cyano-2,6-dimethyl-benzoic acid, MFCD20641932, AKOS025402588, ZINC143927261, CS-W007263, DS-8173, FCH1221724,

Complexity	241
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	175.063g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	175.187g/mol
Monoisotopic Mass	175.063g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	61.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number