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61040-81-1,MFCD00017506
Catalog No.:AA003IKY
61040-81-1 | 3,5-Dimethoxy-4-methylbenzoic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$29.00   $20.00
- +
5g
95%
in stock  
$93.00   $65.00
- +
25g
98%(HPLC)
in stock  
$330.00   $231.00
- +
100g
98%(HPLC)
in stock  
$1,189.00   $832.00
- +
  • Technical Information
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IKY
Chemical Name:
3,5-Dimethoxy-4-methylbenzoic acid
CAS Number:
61040-81-1
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
MDL Number:
MFCD00017506
IUPAC Name:
3,5-dimethoxy-4-methylbenzoic acid
InChI:
InChI=1S/C10H12O4/c1-6-8(13-2)4-7(10(11)12)5-9(6)14-3/h4-5H,1-3H3,(H,11,12)
InChI Key:
QIBMVRYNEXOCCF-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1C)OC)C(=O)O
Properties
Computed Properties
 
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.074g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.202g/mol
Monoisotopic Mass:
196.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Synonyms
 
3,5-dimethoxy-4-methylbenzoic acid 
61040-81-1 
SCHEMBL668540 
CTK5B2622 
DTXSID30396100 
3,5-dimethoxy4-methylbenzoic acid 
ZINC5212129 
4-methyl-3,5-dimethoxybenzoic acid 
LABOTEST-BB LT00455447 
SBB058015 
3,5-dimethoxy-4-methyl benzoic acid 
AKOS000120545 
3,5-dimethoxy-4-methyl-benzoic Acid 
3,5-di-methoxy-4-methyl-benzoic acid 
AS02536 
CS-W008043 
MCULE-1971631194 
TRA0089792 
Benzoic acid, 3,5-dimethoxy-4-methyl- 
AJ-53612 
AM808199 
AS-11562 
AB0010331 
QIBMVRYNEXOCCF-UHFFFAOYSA-N 
DB-053777 
TC-169930 
BB 0246914 
FT-0614650 
ST24041244 
ST50406952 
M-2303 
I14-56129 
Z1270246402 
C10H12O4 
3,5-DIMETHOXY-P-TOLUIC ACID 
3,5-DIMETHOXY-4-METHYLBENZOICACID 
ACN-041565 
CID3764486 
MFCD00017506 
Benzoic acid,3,5-dimethoxy-4-methyl- 
AC1MXESR 
AC1Q47JI 
ACMC-1B58Y 
Literature
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