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81718-77-6 | 5-METHOXY-3-METHYL-BENZOFURAN-2-CARBOXYLIC ACID
CAS No: 81718-77-6 Catalog No: AG005J04 MDL No:MFCD03964697
Product Description
Catalog Number:
AG005J04
Chemical Name:
5-METHOXY-3-METHYL-BENZOFURAN-2-CARBOXYLIC ACID
CAS Number:
81718-77-6
Molecular Formula:
C11H10O4
Molecular Weight:
206.1947
MDL Number:
MFCD03964697
IUPAC Name:
5-methoxy-3-methyl-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C11H10O4/c1-6-8-5-7(14-2)3-4-9(8)15-10(6)11(12)13/h3-5H,1-2H3,(H,12,13)
InChI Key:
BKOHXOOAJNTFCM-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(C)c(o2)C(=O)O
Properties
Complexity:
253
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:
2
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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