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139780-26-0 | 1,1-Cyclopentanedicarboxylic acid, 4-methylene-2-phenyl-, 1,1-diethyl ester
CAS No: 139780-26-0 Catalog No: AG001BP2 MDL No:
Product Description
Catalog Number:
AG001BP2
Chemical Name:
1,1-Cyclopentanedicarboxylic acid, 4-methylene-2-phenyl-, 1,1-diethyl ester
CAS Number:
139780-26-0
Molecular Formula:
C18H22O4
Molecular Weight:
302.3649
IUPAC Name:
diethyl 4-methylidene-2-phenylcyclopentane-1,1-dicarboxylate
InChI:
InChI=1S/C18H22O4/c1-4-21-16(19)18(17(20)22-5-2)12-13(3)11-15(18)14-9-7-6-8-10-14/h6-10,15H,3-5,11-12H2,1-2H3
InChI Key:
FESJRQPSNVQZGA-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CC(=C)CC1c1ccccc1)C(=O)OCC
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.152g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.37g/mol
Monoisotopic Mass:
302.152g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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