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180573-13-1 | 1,1-Cyclopentanedicarboxylic acid, 3-oxo-, 1,1-diethyl ester
CAS No: 180573-13-1 Catalog No: AG00224D MDL No:MFCD28155104
Product Description
Catalog Number:
AG00224D
Chemical Name:
1,1-Cyclopentanedicarboxylic acid, 3-oxo-, 1,1-diethyl ester
CAS Number:
180573-13-1
Molecular Formula:
C11H16O5
Molecular Weight:
228.2417
MDL Number:
MFCD28155104
IUPAC Name:
diethyl 3-oxocyclopentane-1,1-dicarboxylate
InChI:
InChI=1S/C11H16O5/c1-3-15-9(13)11(10(14)16-4-2)6-5-8(12)7-11/h3-7H2,1-2H3
InChI Key:
XBSAEVIOKMQREK-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CCC(=O)C1)C(=O)OCC
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.244g/mol
Monoisotopic Mass:
228.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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