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18928-91-1 | Propanedioic acid, 2-cyclopentyl-, 1,3-diethyl ester
CAS No: 18928-91-1 Catalog No: AG002I6P MDL No:MFCD00059514
Product Description
Catalog Number:
AG002I6P
Chemical Name:
Propanedioic acid, 2-cyclopentyl-, 1,3-diethyl ester
CAS Number:
18928-91-1
Molecular Formula:
C12H20O4
Molecular Weight:
228.2848
MDL Number:
MFCD00059514
IUPAC Name:
diethyl 2-cyclopentylpropanedioate
InChI:
InChI=1S/C12H20O4/c1-3-15-11(13)10(12(14)16-4-2)9-7-5-6-8-9/h9-10H,3-8H2,1-2H3
InChI Key:
WXPOKLNJWFXXQO-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)C1CCCC1
NSC Number:
67358
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.136g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.288g/mol
Monoisotopic Mass:
228.136g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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