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833-55-6 | 4-phenylheptanedinitrile
CAS No: 833-55-6 Catalog No: AG004W5K MDL No:
Product Description
Catalog Number:
AG004W5K
Chemical Name:
4-phenylheptanedinitrile
CAS Number:
833-55-6
Molecular Formula:
C13H14N2
Molecular Weight:
198.2637
IUPAC Name:
4-phenylheptanedinitrile
InChI:
InChI=1S/C13H14N2/c14-10-4-8-13(9-5-11-15)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-9H2
InChI Key:
VHFZOLRQKNVYCF-UHFFFAOYSA-N
SMILES:
N#CCCC(c1ccccc1)CCC#N
NSC Number:
124720
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.269g/mol
Monoisotopic Mass:
198.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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