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114615-80-4 | 6-Benzofuranol, 2-[2-(acetyloxy)-4-methoxyphenyl]-, 6-acetate
CAS No: 114615-80-4 Catalog No: AG000ETP MDL No:
Product Description
Catalog Number:
AG000ETP
Chemical Name:
6-Benzofuranol, 2-[2-(acetyloxy)-4-methoxyphenyl]-, 6-acetate
CAS Number:
114615-80-4
Molecular Formula:
C19H16O6
Molecular Weight:
340.3267
IUPAC Name:
acetic acid;[2-(6-hydroxy-1-benzofuran-2-yl)-5-methoxyphenyl] acetate
InChI:
InChI=1S/C17H14O5.C2H4O2/c1-10(18)21-17-9-13(20-2)5-6-14(17)16-7-11-3-4-12(19)8-15(11)22-16;1-2(3)4/h3-9,19H,1-2H3;1H3,(H,3,4)
InChI Key:
LVAOUQLZEGTTFN-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)OC(=O)C)c1cc2c(o1)cc(cc2)OC(=O)C
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.105g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
358.346g/mol
Monoisotopic Mass:
358.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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