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6970-19-0,MFCD00002505
Catalog No.:AA003IBQ
6970-19-0 | 3,4,5-Triethoxybenzoic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$6.00   $4.00
- +
5g
98%
in stock  
$11.00   $8.00
- +
25g
98%
in stock  
$50.00   $35.00
- +
100g
98+%
in stock  
$172.00   $120.00
- +
500g
98+%
in stock  
$532.00   $372.00
- +
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA003IBQ
Chemical Name:
3,4,5-Triethoxybenzoic acid
CAS Number:
6970-19-0
Molecular Formula:
C13H18O5
Molecular Weight:
254.2790
MDL Number:
MFCD00002505
IUPAC Name:
3,4,5-triethoxybenzoic acid
InChI:
InChI=1S/C13H18O5/c1-4-16-10-7-9(13(14)15)8-11(17-5-2)12(10)18-6-3/h7-8H,4-6H2,1-3H3,(H,14,15)
InChI Key:
YCENSLDYFDZUMO-UHFFFAOYSA-N
SMILES:
CCOc1c(OCC)cc(cc1OCC)C(=O)O
EC Number:
230-192-3
NSC Number:
66202
Properties
Computed Properties
 
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.115g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.282g/mol
Monoisotopic Mass:
254.115g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Synonyms
 
3,4,5-Triethoxybenzoic acid 
6970-19-0 
Oprea1_271960 
Oprea1_603123 
SCHEMBL504156 
3,4,5-triethoxy benzoic acid 
ACMC-1B720 
CTK5D0987 
DTXSID40219992 
ZINC131517 
ZX-AL001694 
HTS001664 
Benzoic acid,3,4,5-triethoxy- 
NSC-66202 
SBB043555 
STK985631 
3,4,5-Triethoxybenzoic acid, 97% 
AKOS000118860 
IMED104555631 
BS-4687 
MCULE-5946908456 
UPCMLD0ENAT5883878:001 
CC-13001 
YCENSLDYFDZUMO-UHFFFAOYSA-N 
TC-010348 
FT-0614134 
ST50196412 
C-33491 
I01-18343 
F3098-1921 
Z256709740 
InChI=1/C13H18O5/c1-4-16-10-7-9(13(14)15)8-11(17-5-2)12(10)18-6-3/h7-8H,4-6H2,1-3H3,(H,14,15 
3,4,5-TRIETHOXYBENZOICACID 
C13H18O5 
Benzoic acid, 3,4,5-triethoxy- 
CID81432 
AR-1E8914 
C13-H18-O5 
716-38-1 
MFCD00002505 
NSC66202 
EINECS 230-192-3 
AC1Q5TSP 
AC1L31BI 
Literature

Title: A pyrazine bis-adduct of a binuclear rhodium(II) carboxylate containing 3,4,5-triethoxybenzoate as the equatorial ligand.

Journal: Acta crystallographica. Section C, Crystal structure communications 20020701

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