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1260651-27-1 | 1,3-Cyclohexanedione, 2-(2-methoxyacetyl)-5-methyl-
CAS No: 1260651-27-1 Catalog No: AG000QY7 MDL No:
Product Description
Catalog Number:
AG000QY7
Chemical Name:
1,3-Cyclohexanedione, 2-(2-methoxyacetyl)-5-methyl-
CAS Number:
1260651-27-1
Molecular Formula:
C10H14O4
Molecular Weight:
198.2158
IUPAC Name:
2-(2-methoxyacetyl)-5-methylcyclohexane-1,3-dione
InChI:
InChI=1S/C10H14O4/c1-6-3-7(11)10(8(12)4-6)9(13)5-14-2/h6,10H,3-5H2,1-2H3
InChI Key:
JNOSKJSENDNHPP-UHFFFAOYSA-N
SMILES:
COCC(=O)C1C(=O)CC(CC1=O)C
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.089g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.218g/mol
Monoisotopic Mass:
198.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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