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15585-44-1 | Cyclopentanecarboxylic acid, 1,3-dimethyl-2-oxo-, methyl ester
CAS No: 15585-44-1 Catalog No: AG001O9P MDL No:
Product Description
Catalog Number:
AG001O9P
Chemical Name:
Cyclopentanecarboxylic acid, 1,3-dimethyl-2-oxo-, methyl ester
CAS Number:
15585-44-1
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
IUPAC Name:
methyl 1,3-dimethyl-2-oxocyclopentane-1-carboxylate
InChI:
InChI=1S/C9H14O3/c1-6-4-5-9(2,7(6)10)8(11)12-3/h6H,4-5H2,1-3H3
InChI Key:
UOVZDAQFOIXQDT-UHFFFAOYSA-N
SMILES:
COC(=O)C1(C)CCC(C1=O)C
Properties
Complexity:
222
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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