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113944-48-2 | Phenol, 4-[(1E)-3-(acetyloxy)-1-propen-1-yl]-, 1-acetate
CAS No: 113944-48-2 Catalog No: AG000A49 MDL No:
Product Description
Catalog Number:
AG000A49
Chemical Name:
Phenol, 4-[(1E)-3-(acetyloxy)-1-propen-1-yl]-, 1-acetate
CAS Number:
113944-48-2
Molecular Formula:
C13H14O4
Molecular Weight:
234.2479
IUPAC Name:
acetic acid;3-(4-hydroxyphenyl)prop-2-enyl acetate
InChI:
InChI=1S/C11H12O3.C2H4O2/c1-9(12)14-8-2-3-10-4-6-11(13)7-5-10;1-2(3)4/h2-7,13H,8H2,1H3;1H3,(H,3,4)
InChI Key:
XDMHPHUAHZRMGY-UHFFFAOYSA-N
SMILES:
CC(=O)OC/C=C/c1ccc(cc1)OC(=O)C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.266g/mol
Monoisotopic Mass:
252.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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