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39727-75-8,MFCD02093788
Catalog No.:AA003IBR
39727-75-8 | 3,4,5-Triethoxybenzyl alcohol
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1g
1 week  
$249.00   $174.00
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5g
1 week  
$672.00   $470.00
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Technical Information
Catalog Number:
AA003IBR
Chemical Name:
3,4,5-Triethoxybenzyl alcohol
CAS Number:
39727-75-8
Molecular Formula:
C13H20O4
Molecular Weight:
240.2955
MDL Number:
MFCD02093788
IUPAC Name:
(3,4,5-triethoxyphenyl)methanol
InChI:
InChI=1S/C13H20O4/c1-4-15-11-7-10(9-14)8-12(16-5-2)13(11)17-6-3/h7-8,14H,4-6,9H2,1-3H3
InChI Key:
BDLRHPZTSRLNOW-UHFFFAOYSA-N
SMILES:
CCOc1c(OCC)cc(cc1OCC)CO
Properties
Computed Properties
 
Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.136g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
240.299g/mol
Monoisotopic Mass:
240.136g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

Synonyms
 
3,4,5-Triethoxybenzyl alcohol 
39727-75-8 
Benzenemethanol,3,4,5-triethoxy- 
ZINC403430 
AKOS005928049 
IMED397668601 
3,4,5-Triethoxybenzyl alcohol, 96% 
ACM39727758 
TC-170072 
I01-18344 
3,4,5-TRIETHOXYBENZYLALCOHOL 
CID4532220 
(3,4,5-triethoxyphenyl)methanol 
AC1NCDUB 
ACMC-1AGR0 
AC1Q363F 
3,4,5-Triethoxybenzenemethanol 
SCHEMBL13144363 
CTK4I1790 
DTXSID20404001 
Literature
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