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Home > Other Heterocycles > 98635-50-8
98635-50-8 | Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-3-(1-phenylethylidene)-
CAS No: 98635-50-8 Catalog No: AG0067BW MDL No:
Product Description
Catalog Number:
AG0067BW
Chemical Name:
Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-3-(1-phenylethylidene)-
CAS Number:
98635-50-8
Molecular Formula:
C18H22O
Molecular Weight:
254.3667
IUPAC Name:
1,7,7-trimethyl-3-(1-phenylethylidene)bicyclo[2.2.1]heptan-2-one
InChI:
InChI=1S/C18H22O/c1-12(13-8-6-5-7-9-13)15-14-10-11-18(4,16(15)19)17(14,2)3/h5-9,14H,10-11H2,1-4H3
InChI Key:
UFEJMWAUOAHKHQ-UHFFFAOYSA-N
SMILES:
CC(=C1C(=O)C2(C(C1CC2)(C)C)C)c1ccccc1
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.167g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.373g/mol
Monoisotopic Mass:
254.167g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
4.8
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