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13031-43-1 | Ethanone, 1-[4-(acetyloxy)phenyl]-
CAS No: 13031-43-1 Catalog No: AG000UAI MDL No:MFCD00017229
Product Description
Catalog Number:
AG000UAI
Chemical Name:
Ethanone, 1-[4-(acetyloxy)phenyl]-
CAS Number:
13031-43-1
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
MDL Number:
MFCD00017229
IUPAC Name:
(4-acetylphenyl) acetate
InChI:
InChI=1S/C10H10O3/c1-7(11)9-3-5-10(6-4-9)13-8(2)12/h3-6H,1-2H3
InChI Key:
SMIOEQSLJNNKQF-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc(cc1)C(=O)C
EC Number:
235-894-3
UNII:
EO1XK390JF
NSC Number:
41974
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.187g/mol
Monoisotopic Mass:
178.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Plant growth inhibitory activity of p-hydroxyacetophenones and tremetones from Chilean endemic Baccharis species and some analogous: a comparative study. | Journal of agricultural and food chemistry 20020410 |
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