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Home > Other Heterocycles > 139244-61-4
139244-61-4 | Bicyclo[4.2.0]octa-1,4-diene, 7-phenyl-, (6R,7S)-rel-
CAS No: 139244-61-4 Catalog No: AG001AJV MDL No:
Product Description
Catalog Number:
AG001AJV
Chemical Name:
Bicyclo[4.2.0]octa-1,4-diene, 7-phenyl-, (6R,7S)-rel-
CAS Number:
139244-61-4
Molecular Formula:
C14H14
Molecular Weight:
182.2610
IUPAC Name:
(6R,7S)-7-phenylbicyclo[4.2.0]octa-1,4-diene
InChI:
InChI=1S/C14H14/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)14/h1-3,5-9,13-14H,4,10H2/t13-,14+/m0/s1
InChI Key:
CPYFSHZTBVGTRK-UONOGXRCSA-N
SMILES:
C1=C[C@H]2C(=CC1)C[C@@H]2c1ccccc1
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
182.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.266g/mol
Monoisotopic Mass:
182.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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