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26040-62-0 | Heptanoic acid, 7-chloro-, methyl ester
CAS No: 26040-62-0 Catalog No: AG002RH9 MDL No:
Product Description
Catalog Number:
AG002RH9
Chemical Name:
Heptanoic acid, 7-chloro-, methyl ester
CAS Number:
26040-62-0
Molecular Formula:
C8H15ClO2
Molecular Weight:
178.6565
IUPAC Name:
methyl 7-chloroheptanoate
InChI:
InChI=1S/C8H15ClO2/c1-11-8(10)6-4-2-3-5-7-9/h2-7H2,1H3
InChI Key:
YKSFGXAJDCLJKE-UHFFFAOYSA-N
SMILES:
ClCCCCCCC(=O)OC
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:
2.7
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