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132215-57-7 | 2-Cyclohepten-1-one, 3,6,6-trimethyl-
CAS No: 132215-57-7 Catalog No: AG0010EB MDL No:
Product Description
Catalog Number:
AG0010EB
Chemical Name:
2-Cyclohepten-1-one, 3,6,6-trimethyl-
CAS Number:
132215-57-7
Molecular Formula:
C10H16O
Molecular Weight:
152.2334
IUPAC Name:
3,6,6-trimethylcyclohept-2-en-1-one
InChI:
InChI=1S/C10H16O/c1-8-4-5-10(2,3)7-9(11)6-8/h6H,4-5,7H2,1-3H3
InChI Key:
OYEFOFOPQJHYMH-UHFFFAOYSA-N
SMILES:
CC1=CC(=O)CC(CC1)(C)C
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.12g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.237g/mol
Monoisotopic Mass:
152.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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