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Home > Other Heterocycles > 85513-88-8
85513-88-8 | Bicyclo[3.3.1]nonane, 3-methylene-7-(phenylmethylene)-
CAS No: 85513-88-8 Catalog No: AG004RP0 MDL No:
Product Description
Catalog Number:
AG004RP0
Chemical Name:
Bicyclo[3.3.1]nonane, 3-methylene-7-(phenylmethylene)-
CAS Number:
85513-88-8
Molecular Formula:
C17H20
Molecular Weight:
224.3407
IUPAC Name:
3-benzylidene-7-methylidenebicyclo[3.3.1]nonane
InChI:
InChI=1S/C17H20/c1-13-7-15-10-16(8-13)12-17(11-15)9-14-5-3-2-4-6-14/h2-6,9,15-16H,1,7-8,10-12H2
InChI Key:
DARXUMYJAKIHEA-UHFFFAOYSA-N
SMILES:
C=C1CC2CC(C1)CC(=Cc1ccccc1)C2
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.157g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.347g/mol
Monoisotopic Mass:
224.157g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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