Home Aminos Benzoic acid,4-[(2-cyanoacetyl)amino]-

Benzoic acid,4-[(2-cyanoacetyl)amino]-

CAS No.:
31557-87-6
Catalog Number:
AG007IZL
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
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Product Description
Catalog Number:
AG007IZL
Chemical Name:
Benzoic acid,4-[(2-cyanoacetyl)amino]-
CAS Number:
31557-87-6
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
MDL Number:
MFCD03443334
IUPAC Name:
4-[(2-cyanoacetyl)amino]benzoic acid
InChI:
InChI=1S/C10H8N2O3/c11-6-5-9(13)12-8-3-1-7(2-4-8)10(14)15/h1-4H,5H2,(H,12,13)(H,14,15)
InChI Key:
FKEVVYBTPHMLAT-UHFFFAOYSA-N
SMILES:
N#CCC(=O)Nc1ccc(cc1)C(=O)O
Properties
Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.053g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
204.185g/mol
Monoisotopic Mass:
204.053g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties