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586-30-1 | 3-Hydroxy-4-methylbenzoic acid
CAS No: 586-30-1 Catalog No: AG003JJW MDL No:MFCD00002511
Product Description
Catalog Number:
AG003JJW
Chemical Name:
3-Hydroxy-4-methylbenzoic acid
CAS Number:
586-30-1
Molecular Formula:
C8H8O3
Molecular Weight:
152.1473
MDL Number:
MFCD00002511
IUPAC Name:
3-hydroxy-4-methylbenzoic acid
InChI:
InChI=1S/C8H8O3/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,9H,1H3,(H,10,11)
InChI Key:
ZQLCWPXBHUALQC-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)O)C
EC Number:
209-571-2
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.047g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
152.149g/mol
Monoisotopic Mass:
152.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Adsorption of functionalized benzoic acids on MgSO4.H2O (100). | Chemphyschem : a European journal of chemical physics and physical chemistry 20060512 |
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