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14812-17-0 | Nonanoic acid, 9-chloro-9-oxo-, ethyl ester
CAS No: 14812-17-0 Catalog No: AG001FH7 MDL No:
Product Description
Catalog Number:
AG001FH7
Chemical Name:
Nonanoic acid, 9-chloro-9-oxo-, ethyl ester
CAS Number:
14812-17-0
Molecular Formula:
C11H19ClO3
Molecular Weight:
234.7198
IUPAC Name:
ethyl 9-chloro-9-oxononanoate
InChI:
InChI=1S/C11H19ClO3/c1-2-15-11(14)9-7-5-3-4-6-8-10(12)13/h2-9H2,1H3
InChI Key:
RRWNPJLSZOMIBW-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCCCC(=O)Cl
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.102g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.72g/mol
Monoisotopic Mass:
234.102g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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