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101170-43-8 | 1,3-Cyclohexanedione, 5,5-dimethyl-2-(3-methylbutyl)-
CAS No: 101170-43-8 Catalog No: AG0003VE MDL No:
Product Description
Catalog Number:
AG0003VE
Chemical Name:
1,3-Cyclohexanedione, 5,5-dimethyl-2-(3-methylbutyl)-
CAS Number:
101170-43-8
Molecular Formula:
C13H22O2
Molecular Weight:
210.3126
IUPAC Name:
5,5-dimethyl-2-(3-methylbutyl)cyclohexane-1,3-dione
InChI:
InChI=1S/C13H22O2/c1-9(2)5-6-10-11(14)7-13(3,4)8-12(10)15/h9-10H,5-8H2,1-4H3
InChI Key:
WUYALVBSFWIWRW-UHFFFAOYSA-N
SMILES:
CC(CCC1C(=O)CC(CC1=O)(C)C)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.162g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.317g/mol
Monoisotopic Mass:
210.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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