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13065-47-9 | Cyclopentaneundecanoic acid, 2-oxo-
CAS No: 13065-47-9 Catalog No: AG000UQR MDL No:
Product Description
Catalog Number:
AG000UQR
Chemical Name:
Cyclopentaneundecanoic acid, 2-oxo-
CAS Number:
13065-47-9
Molecular Formula:
C16H28O3
Molecular Weight:
268.3917
IUPAC Name:
11-(2-oxocyclopentyl)undecanoic acid
InChI:
InChI=1S/C16H28O3/c17-15-12-9-11-14(15)10-7-5-3-1-2-4-6-8-13-16(18)19/h14H,1-13H2,(H,18,19)
InChI Key:
YKOYAVNSEZZQLZ-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCCCCCC1CCCC1=O
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.204g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.397g/mol
Monoisotopic Mass:
268.204g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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