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136634-48-5 | Propanedinitrile, 2-(3-oxobutyl)-
CAS No: 136634-48-5 Catalog No: AG00125Z MDL No:
Product Description
Catalog Number:
AG00125Z
Chemical Name:
Propanedinitrile, 2-(3-oxobutyl)-
CAS Number:
136634-48-5
Molecular Formula:
C7H8N2O
Molecular Weight:
136.1512
IUPAC Name:
2-(3-oxobutyl)propanedinitrile
InChI:
InChI=1S/C7H8N2O/c1-6(10)2-3-7(4-8)5-9/h7H,2-3H2,1H3
InChI Key:
QVKCWJSACKDYLP-UHFFFAOYSA-N
SMILES:
N#CC(C#N)CCC(=O)C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.064g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.154g/mol
Monoisotopic Mass:
136.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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