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123718-04-7 | 2-Cyclopentene-1-acetic acid, 2-(ethoxycarbonyl)-, ethyl ester
CAS No: 123718-04-7 Catalog No: AG000KZK MDL No:
Product Description
Catalog Number:
AG000KZK
Chemical Name:
2-Cyclopentene-1-acetic acid, 2-(ethoxycarbonyl)-, ethyl ester
CAS Number:
123718-04-7
Molecular Formula:
C12H18O4
Molecular Weight:
226.2689
IUPAC Name:
ethyl 5-(2-ethoxy-2-oxoethyl)cyclopentene-1-carboxylate
InChI:
InChI=1S/C12H18O4/c1-3-15-11(13)8-9-6-5-7-10(9)12(14)16-4-2/h7,9H,3-6,8H2,1-2H3
InChI Key:
YMKYLUHCEFZOEG-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC1CCC=C1C(=O)OCC
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.272g/mol
Monoisotopic Mass:
226.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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