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100062-80-4 | Benzonitrile, 2-(1-cyclopenten-1-yl)-
CAS No: 100062-80-4 Catalog No: AG0000TF MDL No:
Product Description
Catalog Number:
AG0000TF
Chemical Name:
Benzonitrile, 2-(1-cyclopenten-1-yl)-
CAS Number:
100062-80-4
Molecular Formula:
C12H11N
Molecular Weight:
169.2224
IUPAC Name:
2-(cyclopenten-1-yl)benzonitrile
InChI:
InChI=1S/C12H11N/c13-9-11-7-3-4-8-12(11)10-5-1-2-6-10/h3-5,7-8H,1-2,6H2
InChI Key:
JFIBTZCTCSDNQT-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1C1=CCCC1
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.089g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.227g/mol
Monoisotopic Mass:
169.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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