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177664-80-1

177664-80-1 | Cyclopentanepropanoic acid, 1-(ethoxycarbonyl)-2-oxo-, methyl ester

CAS No: 177664-80-1 Catalog No: AG0025FY MDL No:

Product Description

Catalog Number:
AG0025FY
Chemical Name:
Cyclopentanepropanoic acid, 1-(ethoxycarbonyl)-2-oxo-, methyl ester
CAS Number:
177664-80-1
Molecular Formula:
C12H18O5
Molecular Weight:
242.2683
IUPAC Name:
ethyl 1-(3-methoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate
InChI:
InChI=1S/C12H18O5/c1-3-17-11(15)12(7-4-5-9(12)13)8-6-10(14)16-2/h3-8H2,1-2H3
InChI Key:
LLXRTJRYHVARSI-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CCCC1=O)CCC(=O)OC

Properties

Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.115g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.271g/mol
Monoisotopic Mass:
242.115g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

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