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139558-93-3 | Phenol, 2-[2-(acetyloxy)ethenyl]-5-methoxy-
CAS No: 139558-93-3 Catalog No: AG001BAA MDL No:
Product Description
Catalog Number:
AG001BAA
Chemical Name:
Phenol, 2-[2-(acetyloxy)ethenyl]-5-methoxy-
CAS Number:
139558-93-3
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
IUPAC Name:
2-(2-hydroxy-4-methoxyphenyl)ethenyl acetate
InChI:
InChI=1S/C11H12O4/c1-8(12)15-6-5-9-3-4-10(14-2)7-11(9)13/h3-7,13H,1-2H3
InChI Key:
UEIVFNMFSSQBRV-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)O)C=COC(=O)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.213g/mol
Monoisotopic Mass:
208.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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