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122-48-5 | 2-Butanone, 4-(4-hydroxy-3-methoxyphenyl)-
CAS No: 122-48-5 Catalog No: AG0016J7 MDL No:MFCD00048232
Product Description
Catalog Number:
AG0016J7
Chemical Name:
2-Butanone, 4-(4-hydroxy-3-methoxyphenyl)-
CAS Number:
122-48-5
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
MDL Number:
MFCD00048232
IUPAC Name:
4-(4-hydroxy-3-methoxyphenyl)butan-2-one
InChI:
InChI=1S/C11H14O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h5-7,13H,3-4H2,1-2H3
InChI Key:
OJYLAHXKWMRDGS-UHFFFAOYSA-N
SMILES:
COc1cc(CCC(=O)C)ccc1O
EC Number:
204-548-3
UNII:
4MMW850892
NSC Number:
15335
FEMA Number:
3124
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
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|---|---|
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| Zingerone [4-(4-hydroxy-3-methoxyphenyl)-2-butanone] prevents 6-hydroxydopamine-induced dopamine depression in mouse striatum and increases superoxide scavenging activity in serum. | Neurochemical research 20050301 |
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