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115245-14-2 | Tricyclo[5.5.0.02,8]dodeca-3,5-diene (9CI)
CAS No: 115245-14-2 Catalog No: AG000GII MDL No:
Product Description
Catalog Number:
AG000GII
Chemical Name:
Tricyclo[5.5.0.02,8]dodeca-3,5-diene (9CI)
CAS Number:
115245-14-2
Molecular Formula:
C12H16
Molecular Weight:
160.2554
IUPAC Name:
tricyclo[5.5.0.02,8]dodeca-3,5-diene
InChI:
InChI=1S/C12H16/c1-2-6-10-11-7-3-4-8-12(10)9(11)5-1/h1-2,5-6,9-12H,3-4,7-8H2
InChI Key:
KQXWVCOTWFVIGF-UHFFFAOYSA-N
SMILES:
C1CCC2C3C(C1)C2C=CC=C3
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.125g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.26g/mol
Monoisotopic Mass:
160.125g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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