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147239-38-1

147239-38-1 | Benzoic acid, 3-chloro-4-hydroxy-, 6-hydroxyhexyl ester

CAS No: 147239-38-1 Catalog No: AG001ER1 MDL No:

Product Description

Catalog Number:
AG001ER1
Chemical Name:
Benzoic acid, 3-chloro-4-hydroxy-, 6-hydroxyhexyl ester
CAS Number:
147239-38-1
Molecular Formula:
C13H17ClO4
Molecular Weight:
272.7247
IUPAC Name:
6-hydroxyhexyl 3-chloro-4-hydroxybenzoate
InChI:
InChI=1S/C13H17ClO4/c14-11-9-10(5-6-12(11)16)13(17)18-8-4-2-1-3-7-15/h5-6,9,15-16H,1-4,7-8H2
InChI Key:
YESSDKICFWDMFP-UHFFFAOYSA-N
SMILES:
OCCCCCCOC(=O)c1ccc(c(c1)Cl)O

Properties

Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.082g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
272.725g/mol
Monoisotopic Mass:
272.082g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

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