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24863-70-5 | 1-Cyclopentene-1-acetic acid, 3-oxo-2-pentyl-, methyl ester
CAS No: 24863-70-5 Catalog No: AG002POZ MDL No:
Product Description
Catalog Number:
AG002POZ
Chemical Name:
1-Cyclopentene-1-acetic acid, 3-oxo-2-pentyl-, methyl ester
CAS Number:
24863-70-5
Molecular Formula:
C13H20O3
Molecular Weight:
224.2961
IUPAC Name:
methyl 2-(3-oxo-2-pentylcyclopenten-1-yl)acetate
InChI:
InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h3-9H2,1-2H3
InChI Key:
GJYFXPRHTPSOMM-UHFFFAOYSA-N
SMILES:
CCCCCC1=C(CCC1=O)CC(=O)OC
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.141g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.3g/mol
Monoisotopic Mass:
224.141g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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