AG00CKV3

39891-82-2 | trans-2-cyanocyclopropanecarboxylic acid

AG00CKV3

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CAS Number	39891-82-2
Catalog Number	AG00CKV3(AGN-PC-0WBSYX)
Chemical Name	trans-2-cyanocyclopropanecarboxylic acid
IUPAC Name	(1R,2R)-2-cyanocyclopropane-1-carboxylic acid
InChI	InChI=1S/C5H5NO2/c6-2-3-1-4(3)5(7)8/h3-4H,1H2,(H,7,8)/t3-,4+/m0/s1
InChI Key	MFCBCXRMDAOFOT-IUYQGCFVSA-N
MDL Number	MFCD28501484
Molecular Formula	C5H5NO2
Molecular Weight	111.0987
SMILES	O=C([C@H]1[C@H](C#N)C1)O
Synonyms	39891-82-2, trans-2-cyanocyclopropane-1-carboxylic acid, (1R,2R)-rel-2-Cyanocyclopropanecarboxylic acid, trans-2-cyanocyclopropanecarboxylic acid, SCHEMBL3870106, MFCBCXRMDAOFOT-IUYQGCFVSA-N, MFCD28501484, AKOS024047010, ZINC118355467, FCH3606490, FCH3931442, AK173832, AS-52293, (1R,2R)-2-Cyanocyclopropanecarboxylic acid, CS-0047826, (1R,2R)-2-cyanocyclopropane-1-carboxylic acid,

Complexity	167
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
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	-0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number