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21736-07-2 | 1,1-Cyclopentanedicarboxylicacid, 3-hydroxy-, 1,1-diethyl ester
CAS No: 21736-07-2 Catalog No: AG003865 MDL No:
Product Description
Catalog Number:
AG003865
Chemical Name:
1,1-Cyclopentanedicarboxylicacid, 3-hydroxy-, 1,1-diethyl ester
CAS Number:
21736-07-2
Molecular Formula:
C11H18O5
Molecular Weight:
230.2576
IUPAC Name:
diethyl 3-hydroxycyclopentane-1,1-dicarboxylate
InChI:
InChI=1S/C11H18O5/c1-3-15-9(13)11(10(14)16-4-2)6-5-8(12)7-11/h8,12H,3-7H2,1-2H3
InChI Key:
MLOZQIXOIZCXKB-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CCC(C1)O)C(=O)OCC
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.115g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.26g/mol
Monoisotopic Mass:
230.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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