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2503-44-8 | 2-Propanone, 1-(3,4-dihydroxyphenyl)-
CAS No: 2503-44-8 Catalog No: AG002Q86 MDL No:MFCD03093024
Product Description
Catalog Number:
AG002Q86
Chemical Name:
2-Propanone, 1-(3,4-dihydroxyphenyl)-
CAS Number:
2503-44-8
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
MDL Number:
MFCD03093024
IUPAC Name:
1-(3,4-dihydroxyphenyl)propan-2-one
InChI:
InChI=1S/C9H10O3/c1-6(10)4-7-2-3-8(11)9(12)5-7/h2-3,5,11-12H,4H2,1H3
InChI Key:
JQXBETDGCMQLMK-UHFFFAOYSA-N
SMILES:
CC(=O)Cc1ccc(c(c1)O)O
UNII:
4161KA24ZB
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:
2
Isotope Atom Count:
0
Molecular Weight:
166.176g/mol
Monoisotopic Mass:
166.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| From L-dopa to dihydroxyphenylacetaldehyde: a toxic biochemical pathway plays a vital physiological function in insects. | PloS one 20110101 |
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