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17605-00-4 | Ethanone, 1-(2-hydroxy-3,5-dimethoxyphenyl)-
CAS No: 17605-00-4 Catalog No: AG0021EK MDL No:
Product Description
Catalog Number:
AG0021EK
Chemical Name:
Ethanone, 1-(2-hydroxy-3,5-dimethoxyphenyl)-
CAS Number:
17605-00-4
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
IUPAC Name:
1-(2-hydroxy-3,5-dimethoxyphenyl)ethanone
InChI:
InChI=1S/C10H12O4/c1-6(11)8-4-7(13-2)5-9(14-3)10(8)12/h4-5,12H,1-3H3
InChI Key:
JVBFVDDXQUVCQN-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c(c(c1)C(=O)C)O
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.202g/mol
Monoisotopic Mass:
196.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| 1-(2-Hy-droxy-3,5-dimeth-oxy-phen-yl)ethanone. | Acta crystallographica. Section E, Structure reports online 20120101 |
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