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Home > Other Heterocycles > 94123-15-6
94123-15-6 | Bicyclo[2.2.1]heptane, 2-phenyl-3-(2-phenylethenyl)-
CAS No: 94123-15-6 Catalog No: AG006RF5 MDL No:
Product Description
Catalog Number:
AG006RF5
Chemical Name:
Bicyclo[2.2.1]heptane, 2-phenyl-3-(2-phenylethenyl)-
CAS Number:
94123-15-6
Molecular Formula:
C21H22
Molecular Weight:
274.3994
IUPAC Name:
2-phenyl-3-(2-phenylethenyl)bicyclo[2.2.1]heptane
InChI:
InChI=1S/C21H22/c1-3-7-16(8-4-1)11-14-20-18-12-13-19(15-18)21(20)17-9-5-2-6-10-17/h1-11,14,18-21H,12-13,15H2
InChI Key:
QTGYNTLHMAEPBJ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C=CC1C2CCC(C1c1ccccc1)C2
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.172g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.407g/mol
Monoisotopic Mass:
274.172g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
1
XLogP3:
6.1
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