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83135-35-7 | Cyclopentanecarboxylic acid, 2-oxo-1-pentyl-, 2-propenyl ester
CAS No: 83135-35-7 Catalog No: AG004W0F MDL No:
Product Description
Catalog Number:
AG004W0F
Chemical Name:
Cyclopentanecarboxylic acid, 2-oxo-1-pentyl-, 2-propenyl ester
CAS Number:
83135-35-7
Molecular Formula:
C14H22O3
Molecular Weight:
238.3227
IUPAC Name:
prop-2-enyl 2-oxo-1-pentylcyclopentane-1-carboxylate
InChI:
InChI=1S/C14H22O3/c1-3-5-6-9-14(10-7-8-12(14)15)13(16)17-11-4-2/h4H,2-3,5-11H2,1H3
InChI Key:
XEAHPHDCZZMBNK-UHFFFAOYSA-N
SMILES:
CCCCCC1(CCCC1=O)C(=O)OCC=C
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.157g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.327g/mol
Monoisotopic Mass:
238.157g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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