1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-hydroxy-2-methyl-1-benzofuran-3-carboxylic acid

2.1.2 InChI

InChI=1S/C10H8O4/c1-5-9(10(12)13)7-3-2-6(11)4-8(7)14-5/h2-4,11H,1H3,(H,12,13)

2.1.3 InChI Key

JVELFLPOFDICQP-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 854515-52-9

2. 6-hydroxy-2-methyl-1-benzofuran-3-carboxylic Acid

3. Mfcd12547297

4. 6-hydroxy-2-methyl-3-benzofurancarboxylic Acid

5. 6-hydroxy-2-methylbenzofuran-3-carboxylicacid

6. 6-hydroxy-2-methyl-benzofuran-3-carboxylic Acid

7. Schembl2083566

8. Dtxsid00622867

9. Jvelflpofdicqp-uhfffaoysa-n

10. Akos015909523

11. Ts-02708

12. Db-027118

13. Cs-0456411

14. F30042

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₈O₄
Molecular Weight	192.17 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	70.7
Heavy Atom Count	14
Formal Charge	0
Complexity	240
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

CAS 854515-52-9