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181052-63-1 | 3-Benzofuranacetic acid, 7-hydroxy-, methyl ester
CAS No: 181052-63-1 Catalog No: AG0022MP MDL No:MFCD09991503
Product Description
Catalog Number:
AG0022MP
Chemical Name:
3-Benzofuranacetic acid, 7-hydroxy-, methyl ester
CAS Number:
181052-63-1
Molecular Formula:
C11H10O4
Molecular Weight:
206.1947
MDL Number:
MFCD09991503
IUPAC Name:
methyl 2-(7-hydroxy-1-benzofuran-3-yl)acetate
InChI:
InChI=1S/C11H10O4/c1-14-10(13)5-7-6-15-11-8(7)3-2-4-9(11)12/h2-4,6,12H,5H2,1H3
InChI Key:
MOIRPSOAHDOAIA-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1cc2c(o1)c(O)ccc2
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.197g/mol
Monoisotopic Mass:
206.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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