AG003E8Y

6914-79-0 | 1-Cyanocyclopropanecarboxylic acid

AG003E8Y

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CAS Number	6914-79-0
Catalog Number	AG003E8Y(AGN-PC-0KK5YL)
Chemical Name	1-Cyanocyclopropanecarboxylic acid
IUPAC Name	1-cyanocyclopropane-1-carboxylic acid
InChI	InChI=1S/C5H5NO2/c6-3-5(1-2-5)4(7)8/h1-2H2,(H,7,8)
InChI Key	KSJJMSKNZVXAND-UHFFFAOYSA-N
MDL Number	MFCD00190651
Molecular Formula	C5H5NO2
Molecular Weight	111.0987
SMILES	OC(=O)C1(CC1)C#N
Synonyms	1-cyanocyclopropanecarboxylic acid, 6914-79-0, 1-Cyano-1-cyclopropanecarboxylic acid, 1-cyanocyclopropane-1-carboxylic Acid, MFCD00190651, cyanocyclopropanecarboxylic acid, Cyclopropanecarboxylic acid, 1-cyano-, 1-Cyano-cyclopropanecarboxylic acid, Cyclopropane, 4, AC1MBYH4, AC1Q71YH, SCHEMBL248308, CHEMBL247765, BDBM82143, CTK2F7990, KS-00000JMJ, DTXSID70369813, KSJJMSKNZVXAND-UHFFFAOYSA-N, ZINC389631, 1-cyanocyclopropane-carboxylic acid, ALBB-005922, CS-D0590, 1-Cyano-cyclo-propanecarboxylic acid, 0665AC, ANW-74670, SBB006670, STK503622, AKOS000266643, 1-cyano-1-cyclopropane carboxylic acid, 1-cyano-1-cyclopropane-carboxylic acid, 1-cyano-cyclopropane-1-carboxylic acid, FG-0700, MCULE-9709025654, AJ-20881, AK-35875, ST2403411, TR-023027, 1-Cyano-1-cyclopropanecarboxylic acid, 97%, FT-0649070, ST50946566, C-5723, 914C790, I04-3611, 1-Benzyl-3-pyrroline, C5H5NO2, cc-629, 1-Cyano-1-cyclopropanecarboxylicacid, CID2733259,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	111.032g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	111.1g/mol
Monoisotopic Mass	111.032g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	61.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302+H312+H332-H314
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3261

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