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26040-65-3 | Heptanoic acid, 7-chloro-, ethyl ester
CAS No: 26040-65-3 Catalog No: AG002RH8 MDL No:
Product Description
Catalog Number:
AG002RH8
Chemical Name:
Heptanoic acid, 7-chloro-, ethyl ester
CAS Number:
26040-65-3
Molecular Formula:
C9H17ClO2
Molecular Weight:
192.6831
IUPAC Name:
ethyl 7-chloroheptanoate
InChI:
InChI=1S/C9H17ClO2/c1-2-12-9(11)7-5-3-4-6-8-10/h2-8H2,1H3
InChI Key:
MTVFBQCYLUWYAS-UHFFFAOYSA-N
SMILES:
ClCCCCCCC(=O)OCC
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.092g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.683g/mol
Monoisotopic Mass:
192.092g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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