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15674-89-2 | Cyclopentaneundecanoic acid, 2-oxo-, methyl ester
CAS No: 15674-89-2 Catalog No: AG001OYY MDL No:
Product Description
Catalog Number:
AG001OYY
Chemical Name:
Cyclopentaneundecanoic acid, 2-oxo-, methyl ester
CAS Number:
15674-89-2
Molecular Formula:
C17H30O3
Molecular Weight:
282.4183
IUPAC Name:
methyl 11-(2-oxocyclopentyl)undecanoate
InChI:
InChI=1S/C17H30O3/c1-20-17(19)14-9-7-5-3-2-4-6-8-11-15-12-10-13-16(15)18/h15H,2-14H2,1H3
InChI Key:
YVQPBTGLUZBULD-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCCCCCCC1CCCC1=O
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.219g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.424g/mol
Monoisotopic Mass:
282.219g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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