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848890-33-5 | Hexanoic acid, 2-(4-chlorophenoxy)-3-hydroxy-, ethyl ester
CAS No: 848890-33-5 Catalog No: AG004M93 MDL No:
Product Description
Catalog Number:
AG004M93
Chemical Name:
Hexanoic acid, 2-(4-chlorophenoxy)-3-hydroxy-, ethyl ester
CAS Number:
848890-33-5
Molecular Formula:
C14H19ClO4
Molecular Weight:
286.7513
IUPAC Name:
ethyl 2-(4-chlorophenoxy)-3-hydroxyhexanoate
InChI:
InChI=1S/C14H19ClO4/c1-3-5-12(16)13(14(17)18-4-2)19-11-8-6-10(15)7-9-11/h6-9,12-13,16H,3-5H2,1-2H3
InChI Key:
QLDIWHAXPFQPJL-UHFFFAOYSA-N
SMILES:
CCCC(C(C(=O)OCC)Oc1ccc(cc1)Cl)O
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.097g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.752g/mol
Monoisotopic Mass:
286.097g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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