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100461-86-7 | Cyclohexanecarboxylic acid, 1-ethyl-2-oxo-, methyl ester, (S)- (9CI)
CAS No: 100461-86-7 Catalog No: AG00021K MDL No:
Product Description
Catalog Number:
AG00021K
Chemical Name:
Cyclohexanecarboxylic acid, 1-ethyl-2-oxo-, methyl ester, (S)- (9CI)
CAS Number:
100461-86-7
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
IUPAC Name:
methyl 1-ethyl-2-oxocyclohexane-1-carboxylate
InChI:
InChI=1S/C10H16O3/c1-3-10(9(12)13-2)7-5-4-6-8(10)11/h3-7H2,1-2H3
InChI Key:
RWLLJGKNCXXPTG-UHFFFAOYSA-N
SMILES:
COC(=O)[C@@]1(CC)CCCCC1=O
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.235g/mol
Monoisotopic Mass:
184.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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