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122086-35-5 | 1,1-Cyclopentanedicarboxylic acid, 2-methylene-, 1,1-diethyl ester
CAS No: 122086-35-5 Catalog No: AG0016QS MDL No:
Product Description
Catalog Number:
AG0016QS
Chemical Name:
1,1-Cyclopentanedicarboxylic acid, 2-methylene-, 1,1-diethyl ester
CAS Number:
122086-35-5
Molecular Formula:
C12H18O4
Molecular Weight:
226.2689
IUPAC Name:
diethyl 2-methylidenecyclopentane-1,1-dicarboxylate
InChI:
InChI=1S/C12H18O4/c1-4-15-10(13)12(11(14)16-5-2)8-6-7-9(12)3/h3-8H2,1-2H3
InChI Key:
DFQKKPBXHWXZJD-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CCCC1=C)C(=O)OCC
Properties
Complexity:
288
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:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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