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7053-88-5 | 2-Hydroxy-3-isopropylbenzoic acid
CAS No: 7053-88-5 Catalog No: AG0033CA MDL No:MFCD00075272
Product Description
Catalog Number:
AG0033CA
Chemical Name:
2-Hydroxy-3-isopropylbenzoic acid
CAS Number:
7053-88-5
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD00075272
IUPAC Name:
2-hydroxy-3-propan-2-ylbenzoic acid
InChI:
InChI=1S/C10H12O3/c1-6(2)7-4-3-5-8(9(7)11)10(12)13/h3-6,11H,1-2H3,(H,12,13)
InChI Key:
XGAYQDWZIPRBPF-UHFFFAOYSA-N
SMILES:
CC(c1cccc(c1O)C(=O)O)C
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Identifying chelators for metalloprotein inhibitors using a fragment-based approach. | Journal of medicinal chemistry 20110127 |
| Mechanistic evaluation of factors affecting compound loading into ion-exchange fibers. | European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences 20070801 |
| 4D-QSAR analysis of a set of propofol analogues: mapping binding sites for an anesthetic phenol on the GABA(A) receptor. | Journal of medicinal chemistry 20020718 |
| Propofol analogues. Synthesis, relationships between structure and affinity at GABAA receptor in rat brain, and differential electrophysiological profile at recombinant human GABAA receptors. | Journal of medicinal chemistry 19980521 |
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