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114842-08-9 | 2-Benzofurancarboxylic acid, 5,6-dimethoxy-
CAS No: 114842-08-9 Catalog No: AG000FCL MDL No:MFCD22741473
Product Description
Catalog Number:
AG000FCL
Chemical Name:
2-Benzofurancarboxylic acid, 5,6-dimethoxy-
CAS Number:
114842-08-9
Molecular Formula:
C11H10O5
Molecular Weight:
222.1941
MDL Number:
MFCD22741473
IUPAC Name:
5,6-dimethoxy-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C11H10O5/c1-14-8-3-6-4-10(11(12)13)16-7(6)5-9(8)15-2/h3-5H,1-2H3,(H,12,13)
InChI Key:
AWGCBUDAZSSMQT-UHFFFAOYSA-N
SMILES:
COc1cc2oc(cc2cc1OC)C(=O)O
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.053g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.196g/mol
Monoisotopic Mass:
222.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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