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139407-88-8 | Cyclobuta[a]naphthalene, 1,2,4,8b-tetrahydro-1-phenyl-, (1R,8bS)-rel-
CAS No: 139407-88-8 Catalog No: AG001AYL MDL No:
Product Description
Catalog Number:
AG001AYL
Chemical Name:
Cyclobuta[a]naphthalene, 1,2,4,8b-tetrahydro-1-phenyl-, (1R,8bS)-rel-
CAS Number:
139407-88-8
Molecular Formula:
C18H16
Molecular Weight:
232.3196
IUPAC Name:
1-phenyl-1,2,4,8b-tetrahydrocyclobuta[a]naphthalene
InChI:
InChI=1S/C18H16/c1-2-6-13(7-3-1)17-12-15-11-10-14-8-4-5-9-16(14)18(15)17/h1-9,11,17-18H,10,12H2
InChI Key:
ZWQVXECBHVYABR-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)[C@@H]1CC2=CCc3c([C@@H]12)cccc3
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.125g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.326g/mol
Monoisotopic Mass:
232.125g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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