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Also known as: 854515-52-9, 6-hydroxy-2-methyl-1-benzofuran-3-carboxylic acid, Mfcd12547297, 6-hydroxy-2-methyl-3-benzofurancarboxylic acid, 6-hydroxy-2-methylbenzofuran-3-carboxylicacid, 6-hydroxy-2-methyl-benzofuran-3-carboxylic acid
Molecular Formula
C10H8O4
Molecular Weight
192.17  g/mol
InChI Key
JVELFLPOFDICQP-UHFFFAOYSA-N

CAS 854515-52-9
1 2D Structure

CAS 854515-52-9

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 Weight 192.17 g/mol
Molecular Formula C10H8O4
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area70.7
Heavy Atom Count14
Formal Charge0
Complexity240
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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