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132616-34-3 | Spiro[3.3]heptane-2,6-dicarboxylic acid, 2,6-diethyl ester
CAS No: 132616-34-3 Catalog No: AG0010VW MDL No:MFCD18432786
Product Description
Catalog Number:
AG0010VW
Chemical Name:
Spiro[3.3]heptane-2,6-dicarboxylic acid, 2,6-diethyl ester
CAS Number:
132616-34-3
Molecular Formula:
C13H20O4
Molecular Weight:
240.2955
MDL Number:
MFCD18432786
IUPAC Name:
diethyl spiro[3.3]heptane-2,6-dicarboxylate
InChI:
InChI=1S/C13H20O4/c1-3-16-11(14)9-5-13(6-9)7-10(8-13)12(15)17-4-2/h9-10H,3-8H2,1-2H3
InChI Key:
GNJWXXQQMIJNDT-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CC2(C1)CC(C2)C(=O)OCC
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.299g/mol
Monoisotopic Mass:
240.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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