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14794-32-2 | Heptanoic acid, 7-chloro-7-oxo-, ethyl ester
CAS No: 14794-32-2 Catalog No: AG001FBP MDL No:MFCD00671507
Product Description
Catalog Number:
AG001FBP
Chemical Name:
Heptanoic acid, 7-chloro-7-oxo-, ethyl ester
CAS Number:
14794-32-2
Molecular Formula:
C9H15ClO3
Molecular Weight:
206.6666
MDL Number:
MFCD00671507
IUPAC Name:
ethyl 7-chloro-7-oxoheptanoate
InChI:
InChI=1S/C9H15ClO3/c1-2-13-9(12)7-5-3-4-6-8(10)11/h2-7H2,1H3
InChI Key:
NYZNYLOIPHDFKS-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCC(=O)Cl
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.071g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.666g/mol
Monoisotopic Mass:
206.071g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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