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2767-18-2 | 2,4-Cycloheptadien-1-one, 3,6,6-trimethyl-
CAS No: 2767-18-2 Catalog No: AG002UE6 MDL No:MFCD24688308
Product Description
Catalog Number:
AG002UE6
Chemical Name:
2,4-Cycloheptadien-1-one, 3,6,6-trimethyl-
CAS Number:
2767-18-2
Molecular Formula:
C10H14O
Molecular Weight:
150.2176
MDL Number:
MFCD24688308
IUPAC Name:
3,6,6-trimethylcyclohepta-2,4-dien-1-one
InChI:
InChI=1S/C10H14O/c1-8-4-5-10(2,3)7-9(11)6-8/h4-6H,7H2,1-3H3
InChI Key:
ZANCPCGYQSRSLK-UHFFFAOYSA-N
SMILES:
O=C1C=C(C)C=CC(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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