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147370-12-5 | Benzoic acid, 3-chloro-4-hydroxy-, 5-hydroxypentyl ester
CAS No: 147370-12-5 Catalog No: AG001EUY MDL No:
Product Description
Catalog Number:
AG001EUY
Chemical Name:
Benzoic acid, 3-chloro-4-hydroxy-, 5-hydroxypentyl ester
CAS Number:
147370-12-5
Molecular Formula:
C12H15ClO4
Molecular Weight:
258.6981
IUPAC Name:
5-hydroxypentyl 3-chloro-4-hydroxybenzoate
InChI:
InChI=1S/C12H15ClO4/c13-10-8-9(4-5-11(10)15)12(16)17-7-3-1-2-6-14/h4-5,8,14-15H,1-3,6-7H2
InChI Key:
OIBAMTDVKDBDAO-UHFFFAOYSA-N
SMILES:
OCCCCCOC(=O)c1ccc(c(c1)Cl)O
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.066g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.698g/mol
Monoisotopic Mass:
258.066g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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