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21622-00-4 | Diethyl cyclopent-3-ene-1,1-dicarboxylate
CAS No: 21622-00-4 Catalog No: AG003PFQ MDL No:MFCD04115567
Product Description
Catalog Number:
AG003PFQ
Chemical Name:
Diethyl cyclopent-3-ene-1,1-dicarboxylate
CAS Number:
21622-00-4
Molecular Formula:
C11H16O4
Molecular Weight:
212.2423
MDL Number:
MFCD04115567
IUPAC Name:
diethyl cyclopent-3-ene-1,1-dicarboxylate
InChI:
InChI=1S/C11H16O4/c1-3-14-9(12)11(7-5-6-8-11)10(13)15-4-2/h5-6H,3-4,7-8H2,1-2H3
InChI Key:
AYKIAWRITOYVSR-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CC=CC1)C(=O)OCC
Properties
Complexity:
252
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:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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