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88367-31-1 | 7-Benzofuranol, 6-methoxy-2-methyl-, acetate
CAS No: 88367-31-1 Catalog No: AG004MP2 MDL No:
Product Description
Catalog Number:
AG004MP2
Chemical Name:
7-Benzofuranol, 6-methoxy-2-methyl-, acetate
CAS Number:
88367-31-1
Molecular Formula:
C12H14O5
Molecular Weight:
238.2366
IUPAC Name:
acetic acid;6-methoxy-2-methyl-1-benzofuran-7-ol
InChI:
InChI=1S/C10H10O3.C2H4O2/c1-6-5-7-3-4-8(12-2)9(11)10(7)13-6;1-2(3)4/h3-5,11H,1-2H3;1H3,(H,3,4)
InChI Key:
MSAVSXYJFRABOG-UHFFFAOYSA-N
SMILES:
CC(=O)O.COc1ccc2c(c1O)oc(c2)C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.239g/mol
Monoisotopic Mass:
238.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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