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86711-72-0 | Propanoic acid, 2-chloro-, hexyl ester
CAS No: 86711-72-0 Catalog No: AG004O5Q MDL No:
Product Description
Catalog Number:
AG004O5Q
Chemical Name:
Propanoic acid, 2-chloro-, hexyl ester
CAS Number:
86711-72-0
Molecular Formula:
C9H17ClO2
Molecular Weight:
192.6831
IUPAC Name:
hexyl 2-chloropropanoate
InChI:
InChI=1S/C9H17ClO2/c1-3-4-5-6-7-12-9(11)8(2)10/h8H,3-7H2,1-2H3
InChI Key:
CKKHJCOIGGVMAZ-UHFFFAOYSA-N
SMILES:
CCCCCCOC(=O)C(Cl)C
Properties
Complexity:
126
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:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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