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Home > Other Heterocycles > 828913-75-3
828913-75-3 | Bicyclo[2.2.1]hepta-2,5-diene, 2,5-bis(phenylmethyl)-, (1S,4S)-
CAS No: 828913-75-3 Catalog No: AG0054Y8 MDL No:
Product Description
Catalog Number:
AG0054Y8
Chemical Name:
Bicyclo[2.2.1]hepta-2,5-diene, 2,5-bis(phenylmethyl)-, (1S,4S)-
CAS Number:
828913-75-3
Molecular Formula:
C21H20
Molecular Weight:
272.3835
IUPAC Name:
(1S,4S)-2,5-dibenzylbicyclo[2.2.1]hepta-2,5-diene
InChI:
InChI=1S/C21H20/c1-3-7-16(8-4-1)11-18-13-21-15-20(18)14-19(21)12-17-9-5-2-6-10-17/h1-10,13-14,20-21H,11-12,15H2/t20-,21-/m1/s1
InChI Key:
NMAAYCBIZZGVPA-NHCUHLMSSA-N
SMILES:
C1[C@H]2C=C([C@@H]1C=C2Cc1ccccc1)Cc1ccccc1
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
272.157g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.391g/mol
Monoisotopic Mass:
272.157g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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