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2435-36-1

2435-36-1 | cyclopentane-1,3-dicarboxylic acid dimethyl ester

CAS No: 2435-36-1 Catalog No: AG003858 MDL No:MFCD01735429

Product Description

Catalog Number:
AG003858
Chemical Name:
cyclopentane-1,3-dicarboxylic acid dimethyl ester
CAS Number:
2435-36-1
Molecular Formula:
C9H14O4
Molecular Weight:
186.2051
MDL Number:
MFCD01735429
IUPAC Name:
dimethyl cyclopentane-1,3-dicarboxylate
InChI:
InChI=1S/C9H14O4/c1-12-8(10)6-3-4-7(5-6)9(11)13-2/h6-7H,3-5H2,1-2H3
InChI Key:
SQFQEQDRLAZVJQ-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCC(C1)C(=O)OC

Properties

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

Literature

Title Journal
Oxidative carbomethoxylation of alkenes using a Pd(II)/molybdovanadophosphate (NPMoV) system under carbon monoxide and air. The Journal of organic chemistry 20020712

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