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Home > Other Heterocycles > 88653-51-4
88653-51-4 | Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-4-phenyl-
CAS No: 88653-51-4 Catalog No: AG0047W8 MDL No:
Product Description
Catalog Number:
AG0047W8
Chemical Name:
Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-4-phenyl-
CAS Number:
88653-51-4
Molecular Formula:
C16H20O
Molecular Weight:
228.3294
IUPAC Name:
1,7,7-trimethyl-4-phenylbicyclo[2.2.1]heptan-2-one
InChI:
InChI=1S/C16H20O/c1-14(2)15(3)9-10-16(14,11-13(15)17)12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
InChI Key:
LELUKLYBNHDOGA-UHFFFAOYSA-N
SMILES:
O=C1CC2(C(C1(C)CC2)(C)C)c1ccccc1
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.151g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.335g/mol
Monoisotopic Mass:
228.151g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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