AG00DU3P

Name: 2-Cyanobutanoic acid
Brand: Angene Chemical
SKU: AG00DU3P

51789-75-4 | 2-Cyanobutanoic acid

AG00DU3P

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CAS Number	51789-75-4
Catalog Number	AG00DU3P(AGN-PC-0A9C4Y)
Chemical Name	2-Cyanobutanoic acid
IUPAC Name	2-cyanobutanoic acid
InChI	InChI=1S/C5H7NO2/c1-2-4(3-6)5(7)8/h4H,2H2,1H3,(H,7,8)
InChI Key	XNINAOUGJUYOQX-UHFFFAOYSA-N
MDL Number	MFCD14544817
Molecular Formula	C5H7NO2
Molecular Weight	113.1146
NSC Number	80742
SMILES	CCC(C(O)=O)C#N
Synonyms	2-cyanobutanoic acid, 51789-75-4, Butanoic acid, 2-cyano-, 1-cyano-propane-1-carboxylic acid, Cyanbuttersaure, NSC80742, AC1Q4QIQ, alpha-Ethylcyanoacetic acid, AC1L5S6K, 1-cyanopropanecarboxylic acid, SCHEMBL70684, CTK1H5160, DTXSID70292192, XNINAOUGJUYOQX-UHFFFAOYSA-N, CCG-40379, NSC-80742, AKOS012576352, Z2429425764, 1-Cyanopropane-1-carboxylic acid, AR-1E0857, CID255337, 5463-13-8,

Complexity	133
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	2
Topological Polar Surface Area	61.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited