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Home > Other Heterocycles > 24892-79-3
24892-79-3 | Bicyclo[2.2.1]heptane, 1-phenyl-
CAS No: 24892-79-3 Catalog No: AG002PRO MDL No:
Product Description
Catalog Number:
AG002PRO
Chemical Name:
Bicyclo[2.2.1]heptane, 1-phenyl-
CAS Number:
24892-79-3
Molecular Formula:
C13H16
Molecular Weight:
172.2661
IUPAC Name:
1-phenylbicyclo[2.2.1]heptane
InChI:
InChI=1S/C13H16/c1-2-4-12(5-3-1)13-8-6-11(10-13)7-9-13/h1-5,11H,6-10H2
InChI Key:
JAFSQQAOPCFETI-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C12CCC(C2)CC1
Properties
Complexity:
180
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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