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4389-53-1,MFCD00075213
Catalog No.:AA003HC8
4389-53-1 | 2-Hydroxy-6-isopropyl-3-methylbenzoic acid
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1g
1 week  
$162.00
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5g
1 week  
$362.00
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10g
1 week  
$625.00
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25g
1 week  
$1,163.00
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Technical Information
Catalog Number:
AA003HC8
Chemical Name:
2-Hydroxy-6-isopropyl-3-methylbenzoic acid
CAS Number:
4389-53-1
MDL Number:
MFCD00075213
IUPAC Name:
2-hydroxy-3-methyl-6-propan-2-ylbenzoic acid
InChI:
InChI=1S/C11H14O3/c1-6(2)8-5-4-7(3)10(12)9(8)11(13)14/h4-6,12H,1-3H3,(H,13,14)
InChI Key:
ZHLQYPNVDAMSFD-UHFFFAOYSA-N
Properties
Computed Properties
 
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

Synonyms
 
2-Hydroxy-6-isopropyl-3-methylbenzoic acid 
4389-53-1 
2-hydroxy-3-methyl-6-propan-2-ylbenzoic acid 
Benzoic acid,2-hydroxy-3-methyl-6-(1-methylethyl)- 
ACMC-20anta 
AC1L2G7S 
AC1Q1OB3 
4-10-00-00738 (Beilstein Handbook Reference) 
SCHEMBL504113 
Benzoic acid, 2-hydroxy-3-methyl-6-(1-methylethyl)- 
CTK4I7850 
DTXSID00195980 
o-Carvacrotic acid 
ZHLQYPNVDAMSFD-UHFFFAOYSA-N 
ZINC156061 
3-methyl-6-isopropylsalicylic acid 
AKOS009158730 
MCULE-3129607155 
VZ24760 
LS-58920 
DB-051177 
TC-170533 
FT-0635267 
o-Carvacrotinic acid 
ST51007030 
2-Hydroxy-6-Isopropyl-3-Methyl-Benzoic Acid 
p-CYMENE-3-CARBOXYLIC ACID, 2-HYDROXY- 
2-hydroxy-3-methyl-6-(methylethyl)benzoic acid 
2-hydroxy-3-methyl-6-(propan-2-yl)benzoic acid 
3-methyl-2-oxidanyl-6-propan-2-yl-benzoic acid 
2-Hydroxy-6-isopropyl-3-methylbenzoic acid, 99% 
A826451 
I01-18122 
InChI=1/C11H14O3/c1-6(2)8-5-4-7(3)10(12)9(8)11(13)14/h4-6,12H,1-3H3,(H,13,14 
2-Hydroxy-p-cymene-3-carboxylic acid 
CID20413 
C11-H14-O3 
6-Isopropyl-3-methylsalicylic acid 
BRN 2615957 
2-Hydroxy-3-methyl-6-isopropylbenzoic acid 
2-Hydroxy-3-methyl-6-(1-methylethyl)benzoic acid 
Benzoic acid, 2-hydroxy-3-methyl-6-(1-methylethyl)- (9CI) 
Literature
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