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89296-58-2 | Octanoic acid, 2-hexyl-, chloromethyl ester
CAS No: 89296-58-2 Catalog No: AG0040D0 MDL No:
Product Description
Catalog Number:
AG0040D0
Chemical Name:
Octanoic acid, 2-hexyl-, chloromethyl ester
CAS Number:
89296-58-2
Molecular Formula:
C15H29ClO2
Molecular Weight:
276.8426
IUPAC Name:
chloromethyl 2-hexyloctanoate
InChI:
InChI=1S/C15H29ClO2/c1-3-5-7-9-11-14(15(17)18-13-16)12-10-8-6-4-2/h14H,3-13H2,1-2H3
InChI Key:
UQVWQJIGFFRWNT-UHFFFAOYSA-N
SMILES:
CCCCCCC(C(=O)OCCl)CCCCCC
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.186g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.845g/mol
Monoisotopic Mass:
276.186g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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