AG007OHS

22426-30-8 | 2-Cyano-2-methylpropanoic acid

AG007OHS

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CAS Number	22426-30-8
Catalog Number	AG007OHS(AGN-PC-007OFS)
Chemical Name	2-Cyano-2-methylpropanoic acid
IUPAC Name	2-cyano-2-methylpropanoic acid
InChI	InChI=1S/C5H7NO2/c1-5(2,3-6)4(7)8/h1-2H3,(H,7,8)
InChI Key	DZDVNAVPCCNJRK-UHFFFAOYSA-N
MDL Number	MFCD11100210
Molecular Formula	C5H7NO2
Molecular Weight	113.1146
SMILES	CC(C)(C#N)C(O)=O
Synonyms	2-CYANO-2-METHYLPROPANOIC ACID, 22426-30-8, 2-cyano-2,2-dimethylacetic acid, MFCD11100210, 2-cyano-2-methyl-propanoic Acid, cyanomethylpropanoicacid, 2-Cyanoisobutyric acid, dimethylcyanoacetic acid, AC1Q1LHM, SCHEMBL536361, 2-cyano-2-methylpropionic acid, CTK4E9466, DTXSID80463634, DZDVNAVPCCNJRK-UHFFFAOYSA-N, KS-000024BO, Propanoic acid, 2-cyano-2-methyl-, 1332AB, ANW-74209, ZINC16698745, AKOS005072228, DC-0839, MCULE-8297007076, RP09624, AJ-69528, AK-79193, AM807025, SC-65742, SY042840, TR-010555, CS-0066959, FT-0680930, 2-cyano-2,2-dimethylacetic acid, AldrichCPR, EN300-42529, MFCD11100210 (95%), C-4465, I04-3606, J-509187, C5H7NO2, 2-cyano-2-methylpropanoicacid, CID11367091,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	113.048g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	113.116g/mol
Monoisotopic Mass	113.048g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	61.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8(6.1)
Hazard statements	H302-H312-H314-H332
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 2923

Certificate of Analysis

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