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24801-79-4 | 2-Propenamide, N-(2-cyanoethyl)-
CAS No: 24801-79-4 Catalog No: AG002PH6 MDL No:
Product Description
Catalog Number:
AG002PH6
Chemical Name:
2-Propenamide, N-(2-cyanoethyl)-
CAS Number:
24801-79-4
Molecular Formula:
C6H8N2O
Molecular Weight:
124.1405
IUPAC Name:
N-(2-cyanoethyl)prop-2-enamide
InChI:
InChI=1S/C6H8N2O/c1-2-6(9)8-5-3-4-7/h2H,1,3,5H2,(H,8,9)
InChI Key:
FTJXXXSSRCHQKC-UHFFFAOYSA-N
SMILES:
C=CC(=O)NCCC#N
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.064g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
124.143g/mol
Monoisotopic Mass:
124.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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