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116387-63-4 | Propanedinitrile, 2-(4-oxo-1(4H)-naphthalenylidene)-
CAS No: 116387-63-4 Catalog No: AG000CCQ MDL No:
Product Description
Catalog Number:
AG000CCQ
Chemical Name:
Propanedinitrile, 2-(4-oxo-1(4H)-naphthalenylidene)-
CAS Number:
116387-63-4
Molecular Formula:
C13H6N2O
Molecular Weight:
206.1995
IUPAC Name:
2-(4-oxonaphthalen-1-ylidene)propanedinitrile
InChI:
InChI=1S/C13H6N2O/c14-7-9(8-15)10-5-6-13(16)12-4-2-1-3-11(10)12/h1-6H
InChI Key:
VNSSYVLGDKEJJQ-UHFFFAOYSA-N
SMILES:
N#CC(=C1C=CC(=O)c2c1cccc2)C#N
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.048g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.204g/mol
Monoisotopic Mass:
206.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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