AG00EB2Y

632-07-5 | Propanoic acid, 2-cyano-

AG00EB2Y

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CAS Number	632-07-5
Catalog Number	AG00EB2Y(AGN-PC-0946CZ)
Chemical Name	Propanoic acid, 2-cyano-
IUPAC Name	2-cyanopropanoic acid
InChI	InChI=1S/C4H5NO2/c1-3(2-5)4(6)7/h3H,1H3,(H,6,7)
InChI Key	JDEFPFLTCXIVDH-UHFFFAOYSA-N
MDL Number	MFCD14544816
Molecular Formula	C4H5NO2
Molecular Weight	99.0880
NSC Number	528442
SMILES	C(#N)C(C(=O)O)C
Synonyms	2-cyanopropanoic acid, 632-07-5, Propanoic acid, 2-cyano-, 2-cyano-2-methylacetic acid, 2-CYANOPROPIONIC ACID, alpha-cyanopropionic acid, NSC528442, 2-cyano-propionic acid, AC1L715R, KS-00000TNR, DTXSID60326455, JDEFPFLTCXIVDH-UHFFFAOYSA-N, MFCD14544816, AKOS008148792, MCULE-3302580561, NE62149, NSC-528442, AK544214, SC-65741, EN300-72730, Propanoicacid,2-cyano-, CID352855, 16051-87-9,

Complexity	121
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	99.032g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	99.089g/mol
Monoisotopic Mass	99.032g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	61.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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