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7362-91-6 | Cyclopentanepropanoicacid, 3-(ethoxycarbonyl)-2-oxo-, ethyl ester
CAS No: 7362-91-6 Catalog No: AG005C4N MDL No:
Product Description
Catalog Number:
AG005C4N
Chemical Name:
Cyclopentanepropanoicacid, 3-(ethoxycarbonyl)-2-oxo-, ethyl ester
CAS Number:
7362-91-6
Molecular Formula:
C13H20O5
Molecular Weight:
256.2949
IUPAC Name:
ethyl 3-(3-ethoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate
InChI:
InChI=1S/C13H20O5/c1-3-17-11(14)8-6-9-5-7-10(12(9)15)13(16)18-4-2/h9-10H,3-8H2,1-2H3
InChI Key:
SCBMTIWAAWXRCL-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC1CCC(C1=O)C(=O)OCC
NSC Number:
125575
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.131g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.298g/mol
Monoisotopic Mass:
256.131g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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