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114262-78-1 | 1,4-Naphthalenedicarbonitrile, 5,8-dihydro-
CAS No: 114262-78-1 Catalog No: AG000AYD MDL No:
Product Description
Catalog Number:
AG000AYD
Chemical Name:
1,4-Naphthalenedicarbonitrile, 5,8-dihydro-
CAS Number:
114262-78-1
Molecular Formula:
C12H8N2
Molecular Weight:
180.2053
IUPAC Name:
5,8-dihydronaphthalene-1,4-dicarbonitrile
InChI:
InChI=1S/C12H8N2/c13-7-9-5-6-10(8-14)12-4-2-1-3-11(9)12/h1-2,5-6H,3-4H2
InChI Key:
CSGXOOKAYHOMNI-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c2c1CC=CC2)C#N
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.21g/mol
Monoisotopic Mass:
180.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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