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Also known as: 638217-08-0, 6-hydroxy-n,2-dimethyl-1-benzofuran-3-carboxamide, Mfcd09836137, Schembl944525, 6-hydroxy-n-methyl-2-methyl-1-benzofuran-3-carboxamide, Dtxsid80587849
Molecular Formula
C11H11NO3
Molecular Weight
205.21  g/mol
InChI Key
NUAOQCHBPXUPID-UHFFFAOYSA-N

CAS 638217-08-0
1 2D Structure

CAS 638217-08-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-hydroxy-N,2-dimethyl-1-benzofuran-3-carboxamide
2.1.2 InChI
InChI=1S/C11H11NO3/c1-6-10(11(14)12-2)8-4-3-7(13)5-9(8)15-6/h3-5,13H,1-2H3,(H,12,14)
2.1.3 InChI Key
NUAOQCHBPXUPID-UHFFFAOYSA-N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 638217-08-0

2. 6-hydroxy-n,2-dimethyl-1-benzofuran-3-carboxamide

3. Mfcd09836137

4. Schembl944525

5. 6-hydroxy-n-methyl-2-methyl-1-benzofuran-3-carboxamide

6. Dtxsid80587849

7. Nuaoqchbpxupid-uhfffaoysa-n

8. Akos015890035

9. Sb17883

10. Fh148077

11. Cs-0067399

12. 6-hydroxy-2-methylbenzofuran-3-carboxylic Acid Methylamide

13. 6-hydroxy-2-methyl-benzofuran-3-carboxylic Acid Methyl Amide

14. 6-hydroxy-2-methylbenzo[b]furan-3-carboxylic Acid Methylamide

2.3 Create Date
2007-10-29
3 Chemical and Physical Properties
Molecular Weight 205.21 g/mol
Molecular Formula C11H11NO3
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area62.5
Heavy Atom Count15
Formal Charge0
Complexity256
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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