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126571-17-3 | 3-Cyclopentene-1,1-dicarboxylic acid, 3,4-dimethyl-, 1,1-dimethyl ester
CAS No: 126571-17-3 Catalog No: AG000SY3 MDL No:
Product Description
Catalog Number:
AG000SY3
Chemical Name:
3-Cyclopentene-1,1-dicarboxylic acid, 3,4-dimethyl-, 1,1-dimethyl ester
CAS Number:
126571-17-3
Molecular Formula:
C11H16O4
Molecular Weight:
212.2423
IUPAC Name:
dimethyl 3,4-dimethylcyclopent-3-ene-1,1-dicarboxylate
InChI:
InChI=1S/C11H16O4/c1-7-5-11(6-8(7)2,9(12)14-3)10(13)15-4/h5-6H2,1-4H3
InChI Key:
GRAUQVMFYONZDV-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CC(=C(C1)C)C)C(=O)OC
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.245g/mol
Monoisotopic Mass:
212.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Mechanistic studies of the cycloisomerization of dimethyl diallylmalonate catalyzed by a cationic palladium phenanthroline complex. | Journal of the American Chemical Society 20011114 |
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