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88606-70-6 | Octanoic acid, 3-chloropropyl ester
CAS No: 88606-70-6 Catalog No: AG004CBF MDL No:
Product Description
Catalog Number:
AG004CBF
Chemical Name:
Octanoic acid, 3-chloropropyl ester
CAS Number:
88606-70-6
Molecular Formula:
C11H21ClO2
Molecular Weight:
220.7362
IUPAC Name:
3-chloropropyl octanoate
InChI:
InChI=1S/C11H21ClO2/c1-2-3-4-5-6-8-11(13)14-10-7-9-12/h2-10H2,1H3
InChI Key:
PEVLZFLWQKFZLP-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)OCCCCl
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.123g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.737g/mol
Monoisotopic Mass:
220.123g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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