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28026-96-2,MFCD00002514
Catalog No.:AA003IKK
28026-96-2 | 3,5-Dihydroxy-4-methylbenzoic acid
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Purity
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Quantity
  
1g
95%forsynthesis
in stock  
$47.00   $33.00
- +
5g
95%forsynthesis
in stock  
$166.00   $117.00
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25g
95%forsynthesis
in stock  
$754.00   $528.00
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Technical Information
Catalog Number:
AA003IKK
Chemical Name:
3,5-Dihydroxy-4-methylbenzoic acid
CAS Number:
28026-96-2
Molecular Formula:
C8H8O4
Molecular Weight:
168.1467
MDL Number:
MFCD00002514
IUPAC Name:
3,5-dihydroxy-4-methylbenzoic acid
InChI:
InChI=1S/C8H8O4/c1-4-6(9)2-5(8(11)12)3-7(4)10/h2-3,9-10H,1H3,(H,11,12)
InChI Key:
KMRRXSZDSGYLCD-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(O)c(c(c1)O)C
Properties
Computed Properties
 
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.042g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
168.148g/mol
Monoisotopic Mass:
168.042g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Synonyms
 
3,5-Dihydroxy-4-methylbenzoic acid 
28026-96-2 
PARAGOS 440034 
SCHEMBL1919748 
CTK4G0655 
DTXSID90372708 
KMRRXSZDSGYLCD-UHFFFAOYSA-N 
3,5-dihydroxy4-methylbenzoic acid 
ZINC157336 
ANW-57425 
CM-166 
FCH917313 
3,5-DIHYDROXY-P-TOLUIC ACID 
SBB063984 
AKOS004903511 
AS01213 
Benzoic acid,3,5-dihydroxy-4-methyl- 
MCULE-5444497653 
VZ25785 
ACM28026962 
AC-11757 
AJ-14993 
AK-87165 
MFCD00002514 
AS-17353 
BC203422 
CC-13558 
OR345066 
SC-58106 
U695 
AB0019406 
AX8006415 
DB-047321 
TC-146170 
Benzoic acid, 3,5-dihydroxy-4-methyl- 
TL8002237 
4CH-021390 
D4712 
FT-0614616 
ST24041237 
ST50407062 
3,5-Dihydroxy-4-methylbenzoic acid, AldrichCPR 
026D962 
C-04997 
I01-3554 
4-METHYL-3,5-DIHYDROXY BENZOIC ACID 
InChI=1/C8H8O4/c1-4-6(9)2-5(8(11)12)3-7(4)10/h2-3,9-10H,1H3,(H,11,12 
C8H8O4 
4-Methyl-3,5-dihydroxybenzoic acid 
3,5-Dihydroxy-4-methyl benzoic acid 
CID2748045 
3,5-dihydroxy-4-methyl-benzoic Acid 
PubChem3868 
AC1MCNRD 
ACMC-20a50j 
Literature
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