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10139-84-1 | Ethanone, 1-(2,4-dihydroxy-3-methylphenyl)-
CAS No: 10139-84-1 Catalog No: AG0004DJ MDL No:MFCD00010817
Product Description
Catalog Number:
AG0004DJ
Chemical Name:
Ethanone, 1-(2,4-dihydroxy-3-methylphenyl)-
CAS Number:
10139-84-1
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
MDL Number:
MFCD00010817
IUPAC Name:
1-(2,4-dihydroxy-3-methylphenyl)ethanone
InChI:
InChI=1S/C9H10O3/c1-5-8(11)4-3-7(6(2)10)9(5)12/h3-4,11-12H,1-2H3
InChI Key:
KMTLZBUHQPQFAV-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(c(c1O)C)O
Properties
Complexity:
179
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:
2
Isotope Atom Count:
0
Molecular Weight:
166.176g/mol
Monoisotopic Mass:
166.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Genetic, molecular, and biochemical basis of fungal tropolone biosynthesis. | Proceedings of the National Academy of Sciences of the United States of America 20120515 |
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