1,3-Cyclopentanedicarboxylic acid, dimethyl ester


Chemical Name: 1,3-Cyclopentanedicarboxylic acid, dimethyl ester
CAS Number: 2435-36-1
Product Number: AG003858(AGN-PC-0JMXIL)
Synonyms:
MDL No:
Molecular Formula: C9H14O4
Molecular Weight: 186.2051

Identification/Properties


Computed Properties
Molecular Weight:
186.207g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
186.089g/mol
Monoisotopic Mass:
186.089g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
190
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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