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157686-39-0 | 3,5-Cycloheptadien-1-one, 2,2,6-trimethyl-
CAS No: 157686-39-0 Catalog No: AG001PMD MDL No:
Product Description
Catalog Number:
AG001PMD
Chemical Name:
3,5-Cycloheptadien-1-one, 2,2,6-trimethyl-
CAS Number:
157686-39-0
Molecular Formula:
C10H14O
Molecular Weight:
150.2176
IUPAC Name:
2,2,6-trimethylcyclohepta-3,5-dien-1-one
InChI:
InChI=1S/C10H14O/c1-8-5-4-6-10(2,3)9(11)7-8/h4-6H,7H2,1-3H3
InChI Key:
HJVGQLCBPOBBIL-UHFFFAOYSA-N
SMILES:
CC1=CC=CC(C(=O)C1)(C)C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.104g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.221g/mol
Monoisotopic Mass:
150.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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