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126245-46-3 | Acetamide, 2-cyano-N-[[(phenylmethyl)amino]carbonyl]-
CAS No: 126245-46-3 Catalog No: AG000SF7 MDL No:
Product Description
Catalog Number:
AG000SF7
Chemical Name:
Acetamide, 2-cyano-N-[[(phenylmethyl)amino]carbonyl]-
CAS Number:
126245-46-3
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
IUPAC Name:
N-(benzylcarbamoyl)-2-cyanoacetamide
InChI:
InChI=1S/C11H11N3O2/c12-7-6-10(15)14-11(16)13-8-9-4-2-1-3-5-9/h1-5H,6,8H2,(H2,13,14,15,16)
InChI Key:
FUVJSFKTZYVBCV-UHFFFAOYSA-N
SMILES:
N#CCC(=O)NC(=O)NCc1ccccc1
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.228g/mol
Monoisotopic Mass:
217.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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