Home Other Building Blocks 548-51-6
548-51-6,MFCD00020270
Catalog No.:AA003HB4
548-51-6 | 2-Hydroxy-3-isopropyl-6-methylbenzoic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
1 week  
$202.00
- +
1g
1 week  
$349.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HB4
Chemical Name:
2-Hydroxy-3-isopropyl-6-methylbenzoic acid
CAS Number:
548-51-6
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
MDL Number:
MFCD00020270
IUPAC Name:
2-hydroxy-6-methyl-3-propan-2-ylbenzoic acid
InChI:
InChI=1S/C11H14O3/c1-6(2)8-5-4-7(3)9(10(8)12)11(13)14/h4-6,12H,1-3H3,(H,13,14)
InChI Key:
FNWNGQGTFICQJU-UHFFFAOYSA-N
SMILES:
CC(c1ccc(c(c1O)C(=O)O)C)C
EC Number:
208-949-4
UNII:
GF566F3K7L
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-thymotic acid 
2-thymotic acid, monosodium salt 
o-Thymolcarboxylic acid 
2-Thymolcarboxylic acid 
2-Thymotic acid 
3-Isopropyl-6-methylsalicylic acid 
ORTHOTHYMOTINIC ACID 
6-Methyl-3-isopropylsalicylic acid 
3-Hydroxy-2-p-cymenecarboxylic acid 
3-Isopropyl-6 methyl salicylic acid 
UNII-GF566F3K7L 
3-Hydroxy-p-cymene-2-carboxylic acid 
3-hydroxy-p-cymene-2-carboxylic acid 
2-Methyl-5-isopropylsalicyclic acid 
EINECS 208-949-4 
NSC 68360 
BRN 2578282 
Benzoic acid, 2-hydroxy-6-methyl-3-(1-methylethyl)- 
GF566F3K7L 
2-hydroxy-6-methyl-3-propan-2-ylbenzoic acid 
p-CYMENE-2-CARBOXYLIC ACID, 3-HYDROXY- 
2-Hydroxy-6-methyl-3-(1-methylethyl)benzoic acid 
Benzoic acid,2-hydroxy-6-methyl-3-(1-methylethyl)- 
6-methyl-3-isopropyl-salicylic acid 
o-Thymotinsaure 
Spectrum_001420 
ACMC-1AVNZ 
AC1L1WIK 
Spectrum2_000438 
Spectrum3_001779 
Spectrum4_000088 
Spectrum5_001130 
AC1Q1OF7 
BSPBio_003277 
o-thymotic acid 
KBioGR_000356 
KBioSS_001900 
3-10-00-00629 (Beilstein Handbook Reference) 
MLS002207117 
SCHEMBL503619 
SPBio_000456 
CHEMBL1905986 
CHEBI:93677 
CTK5A2665 
KBio2_001900 
2-Hydroxy-3-isopropyl-6-methylbenzoic acid 
KBio2_004468 
KBio2_007036 
KBio3_002778 
DTXSID80203279 
FNWNGQGTFICQJU-UHFFFAOYSA-N 
ZINC389607 
ALBB-014373 
NSC68360 
NSC76970 
5425AE 
548-51-6 
CCG-40250 
MFCD00020270 
NSC-68360 
NSC-76970 
AKOS005174254 
VZ24721 
LS-58918 
SMR001306720 
DB-052656 
TC-170544 
o-Thymotic acid 
FT-0632365 
R1396 
2-Hydroxy-3-Isopropyl-6-Methyl-Benzoic Acid 
2-hydroxy-6-methyl-3-(propan-2-yl)benzoic acid 
6-methyl-2-oxidanyl-3-propan-2-yl-benzoic acid 
2-Hydroxy-3-isopropyl-6-methylbenzoic acid, 98% 
A830383 
BRD-K95788524-001-02-4 
I01-16067 
Benzoic acid, 2-hydroxy-6-methyl-3-(1-methylethyl)- (9CI) 
o-Thymotinic acid 
InChI=1/C11H14O3/c1-6(2)8-5-4-7(3)9(10(8)12)11(13)14/h4-6,12H,1-3H3,(H,13,14 
Sodium o-thymotate 
Sodium-o-thymotate 
UNII-D038ING20B 
o-Thymotic acid, sodium salt 
C11H13O3.Na 
C11H14O3 
o-Thymotic acid, monosodium salt 
C11-H13-O3.Na 
CID11052 
Orthothymotic acid 
C11-H14-O3 
Benzoicacid,2-hydroxy-6-methyl-3-(1-methylethyl)- 
p-Cymene-2-carboxylic acid, 3-hydroxy-, sodium salt 
p-CYMENE-2-CARBOXYLIC ACID, 3-HYDROXY-, MONOSODIUM SALT 
Benzoic acid, 2-hydroxy-6-methyl-3-(1-methylethyl)-, monosodium salt 
1012-86-8 
Literature

Title: Assay principle for modulators of protein-protein interactions and its application to non-ATP-competitive ligands targeting protein kinase A.

Journal: Analytical chemistry 20061215

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info: