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Home > Other Heterocycles > 139272-84-7
139272-84-7 | Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-3,3-bis(phenylmethyl)-, (1R)- (9CI)
CAS No: 139272-84-7 Catalog No: AG001AMV MDL No:
Product Description
Catalog Number:
AG001AMV
Chemical Name:
Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-3,3-bis(phenylmethyl)-, (1R)- (9CI)
CAS Number:
139272-84-7
Molecular Formula:
C24H28O
Molecular Weight:
332.4785
IUPAC Name:
3,3-dibenzyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
InChI:
InChI=1S/C24H28O/c1-22(2)20-14-15-23(22,3)21(25)24(20,16-18-10-6-4-7-11-18)17-19-12-8-5-9-13-19/h4-13,20H,14-17H2,1-3H3
InChI Key:
RAKJZTFCMBZSLC-UHFFFAOYSA-N
SMILES:
O=C1C(Cc2ccccc2)(Cc2ccccc2)C2C([C@@]1(C)CC2)(C)C
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.214g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.487g/mol
Monoisotopic Mass:
332.214g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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