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114059-07-3 | 4-Cycloocten-1-one, 4,6-dimethyl-
CAS No: 114059-07-3 Catalog No: AG000AGD MDL No:
Product Description
Catalog Number:
AG000AGD
Chemical Name:
4-Cycloocten-1-one, 4,6-dimethyl-
CAS Number:
114059-07-3
Molecular Formula:
C10H16O
Molecular Weight:
152.2334
IUPAC Name:
4,6-dimethylcyclooct-4-en-1-one
InChI:
InChI=1S/C10H16O/c1-8-3-5-10(11)6-4-9(2)7-8/h7-8H,3-6H2,1-2H3
InChI Key:
MZEKGIJRNLSVID-UHFFFAOYSA-N
SMILES:
O=C1CCC(C)C=C(CC1)C
Properties
Complexity:
179
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:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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