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52010-89-6 | 2,5-DIHYDROXY-4-METHYL-BENZALDEHYDE
CAS No: 52010-89-6 Catalog No: AG01DCZ1 MDL No:MFCD24675617
Product Description
Catalog Number:
AG01DCZ1
Chemical Name:
2,5-DIHYDROXY-4-METHYL-BENZALDEHYDE
CAS Number:
52010-89-6
Molecular Formula:
C8H8O3
Molecular Weight:
152.1473
MDL Number:
MFCD24675617
IUPAC Name:
2,5-dihydroxy-4-methylbenzaldehyde
InChI:
InChI=1S/C8H8O3/c1-5-2-8(11)6(4-9)3-7(5)10/h2-4,10-11H,1H3
InChI Key:
CWFNERGGFAXZRM-UHFFFAOYSA-N
SMILES:
O=Cc1cc(O)c(cc1O)C
Properties
Complexity:
146
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:
1.6
Literature
| Title | Journal |
|---|---|
| Evaluation of HIV-1 inhibition by stereoisomers and analogues of the sesquiterpenoid hydroquinone peyssonol A. | Bioorganic & medicinal chemistry letters 20130401 |
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