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100650-88-2 | Cycloheptene, 4-phenyl-
CAS No: 100650-88-2 Catalog No: AG0002KQ MDL No:
Product Description
Catalog Number:
AG0002KQ
Chemical Name:
Cycloheptene, 4-phenyl-
CAS Number:
100650-88-2
Molecular Formula:
C13H16
Molecular Weight:
172.2661
IUPAC Name:
4-phenylcycloheptene
InChI:
InChI=1S/C13H16/c1-2-5-9-12(8-4-1)13-10-6-3-7-11-13/h1,3-4,6-7,10-12H,2,5,8-9H2
InChI Key:
DQMZGHIGHUUQBR-UHFFFAOYSA-N
SMILES:
C1C=CCC(CC1)c1ccccc1
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.125g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.271g/mol
Monoisotopic Mass:
172.125g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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