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176101-58-9 | Cyclopentanecarboxylic acid, 2-oxo-1-(3-oxopentyl)-, ethyl ester
CAS No: 176101-58-9 Catalog No: AG0021G5 MDL No:
Product Description
Catalog Number:
AG0021G5
Chemical Name:
Cyclopentanecarboxylic acid, 2-oxo-1-(3-oxopentyl)-, ethyl ester
CAS Number:
176101-58-9
Molecular Formula:
C13H20O4
Molecular Weight:
240.2955
IUPAC Name:
ethyl 2-oxo-1-(3-oxopentyl)cyclopentane-1-carboxylate
InChI:
InChI=1S/C13H20O4/c1-3-10(14)7-9-13(12(16)17-4-2)8-5-6-11(13)15/h3-9H2,1-2H3
InChI Key:
CTOFCZPSQYLEKW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CCCC1=O)CCC(=O)CC
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.299g/mol
Monoisotopic Mass:
240.136g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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