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13148-87-3 | 1,3-Cyclohexanedione, 5,5-dimethyl-2-(2-oxopropyl)-
CAS No: 13148-87-3 Catalog No: AG000W9Z MDL No:MFCD00793015
Product Description
Catalog Number:
AG000W9Z
Chemical Name:
1,3-Cyclohexanedione, 5,5-dimethyl-2-(2-oxopropyl)-
CAS Number:
13148-87-3
Molecular Formula:
C11H16O3
Molecular Weight:
196.2429
MDL Number:
MFCD00793015
IUPAC Name:
5,5-dimethyl-2-(2-oxopropyl)cyclohexane-1,3-dione
InChI:
InChI=1S/C11H16O3/c1-7(12)4-8-9(13)5-11(2,3)6-10(8)14/h8H,4-6H2,1-3H3
InChI Key:
AIZYSTCNHMEEQO-UHFFFAOYSA-N
SMILES:
CC(=O)CC1C(=O)CC(CC1=O)(C)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.246g/mol
Monoisotopic Mass:
196.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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