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10140-96-2 | Hexanoic acid, 6-chloro-, ethyl ester
CAS No: 10140-96-2 Catalog No: AG0004EO MDL No:MFCD01723370
Product Description
Catalog Number:
AG0004EO
Chemical Name:
Hexanoic acid, 6-chloro-, ethyl ester
CAS Number:
10140-96-2
Molecular Formula:
C8H15ClO2
Molecular Weight:
178.6565
MDL Number:
MFCD01723370
IUPAC Name:
ethyl 6-chlorohexanoate
InChI:
InChI=1S/C8H15ClO2/c1-2-11-8(10)6-4-3-5-7-9/h2-7H2,1H3
InChI Key:
QYZFPLZQMZFBAZ-UHFFFAOYSA-N
SMILES:
ClCCCCCC(=O)OCC
EC Number:
233-400-0
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.076g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.656g/mol
Monoisotopic Mass:
178.076g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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