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CAS 638217-08-0

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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

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 Formula	C₁₁H₁₁NO₃
Molecular Weight	205.21 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	62.5
Heavy Atom Count	15
Formal Charge	0
Complexity	256
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1