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4670-56-8 | Methyl 2-hydroxy-4-methylbenzoate
CAS No: 4670-56-8 Catalog No: AG003RO4 MDL No:MFCD00020130
Product Description
Catalog Number:
AG003RO4
Chemical Name:
Methyl 2-hydroxy-4-methylbenzoate
CAS Number:
4670-56-8
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
MDL Number:
MFCD00020130
IUPAC Name:
methyl 2-hydroxy-4-methylbenzoate
InChI:
InChI=1S/C9H10O3/c1-6-3-4-7(8(10)5-6)9(11)12-2/h3-5,10H,1-2H3
InChI Key:
UITFCFWKYAOJEJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1O)C
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.176g/mol
Monoisotopic Mass:
166.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Fragrance material review on methyl 4-methylsalicylate. | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20070101 |
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