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89656-82-6 | Cyclohexanecarboxylic acid, 1-methyl-2-oxo-, methyl ester, (1R)-
CAS No: 89656-82-6 Catalog No: AG004651 MDL No:
Product Description
Catalog Number:
AG004651
Chemical Name:
Cyclohexanecarboxylic acid, 1-methyl-2-oxo-, methyl ester, (1R)-
CAS Number:
89656-82-6
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
IUPAC Name:
methyl 1-methyl-2-oxocyclohexane-1-carboxylate
InChI:
InChI=1S/C9H14O3/c1-9(8(11)12-2)6-4-3-5-7(9)10/h3-6H2,1-2H3
InChI Key:
XVOWMIBAOJEFIT-UHFFFAOYSA-N
SMILES:
COC(=O)[C@]1(C)CCCCC1=O
NSC Number:
408037
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.094g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.208g/mol
Monoisotopic Mass:
170.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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