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17777-31-0 | Benzenehexanenitrile
CAS No: 17777-31-0 Catalog No: AG0025JX MDL No:
Product Description
Catalog Number:
AG0025JX
Chemical Name:
Benzenehexanenitrile
CAS Number:
17777-31-0
Molecular Formula:
C12H15N
Molecular Weight:
173.2542
IUPAC Name:
6-phenylhexanenitrile
InChI:
InChI=1S/C12H15N/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8H2
InChI Key:
BSJKBXNHLQEFMG-UHFFFAOYSA-N
SMILES:
N#CCCCCCc1ccccc1
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.12g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.259g/mol
Monoisotopic Mass:
173.12g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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