AG007601

39201-33-7 | 4-Cyanobutanoic acid

AG007601

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CAS Number	39201-33-7
Catalog Number	AG007601(AGN-PC-0JKQ5G)
Chemical Name	4-Cyanobutanoic acid
IUPAC Name	4-cyanobutanoic acid
InChI	InChI=1S/C5H7NO2/c6-4-2-1-3-5(7)8/h1-3H2,(H,7,8)
InChI Key	YXBVMSQDRLXPQV-UHFFFAOYSA-N
MDL Number	MFCD00218781
Molecular Formula	C5H7NO2
Molecular Weight	113.1146
SMILES	C(CCC#N)C(O)=O
Synonyms	4-CYANOBUTANOIC ACID, 39201-33-7, 4-cyanobutyric acid, Butanoic acid, 4-cyano-, 4-CYANOBUTANOICACID, MFCD00218781, AC1L1ZD5, SCHEMBL23848, CTK4I1088, 4-cyanobutanoic acid, AldrichCPR, DTXSID40192453, YXBVMSQDRLXPQV-UHFFFAOYSA-N, KS-000025YV, ZINC2007528, ANW-49413, RB3314, AKOS006273626, GS-4037, QC-3968, AJ-32467, AK-40359, BR-40359, DA-06223, AB0024642, TR-036687, 4CH-008653, FT-0660790, ST24029064, W5958, S-5566, Z1741976303, C5H7NO2, CID38239,

Complexity	122
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	3
Topological Polar Surface Area	61.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number