AG001RZN

16051-87-9 | Propanoic acid, 3-cyano-

AG001RZN

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CAS Number	16051-87-9
Catalog Number	AG001RZN(AGN-PC-0JNXQD)
Chemical Name	Propanoic acid, 3-cyano-
IUPAC Name	3-cyanopropanoic acid
InChI	InChI=1S/C4H5NO2/c5-3-1-2-4(6)7/h1-2H2,(H,6,7)
InChI Key	BXYQHDXDCJQOFD-UHFFFAOYSA-N
MDL Number	MFCD00233974
Molecular Formula	C4H5NO2
Molecular Weight	99.0880
NSC Number	97378
SMILES	O=C(O)CCC#N
Synonyms	3-Cyanopropanoic acid, 16051-87-9, 3-Cyanopropionic Acid, Propanoic acid, 3-cyano-, Propanoic acid,3-cyano-, NSC97378, 3-CyanopropionicAcid, beta-cyanopropionic acid, AC1Q28OG, AC1L68X3, CTK4D0470, KS-00000CLQ, DTXSID40294608, BXYQHDXDCJQOFD-UHFFFAOYSA-N, 3-cyanopropanoic acid, AldrichCPR, ZINC1632614, ANW-47635, MFCD00233974, NSC-97378, RW3882, AKOS006343462, CC-1897, CS-W018565, GS-3867, RP18660, TRA0033275, VZ26733, AJ-28464, AK-47909, BC670380, BR-47909, EN001014, SC-49854, SY008516, AB0022588, DB-006419, ST2417682, TX-016727, 4CH-000668, FT-0080409, FT-0602764, W3483, C22210, S-4340, MFCD00233974 (95+%), I14-8865, J-512364, F8884-9159, 4-cyanobutyric acid, C4H5NO2, AR-1F2826, CID263086, 1610-23-7,

Complexity	110
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	2
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
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number