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CHEMISTRY

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Chemistry

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Also known as: 62803-47-8, 6-hydroxy-2,3-dihydro-1h-inden-1-one, 6-hydroxy-2,3-dihydroinden-1-one, 6-hydroxyindan-1-one, 6-hydroxy-1-indenone, 6-hydroxyindanone

Molecular Formula

C₉H₈O₂

Molecular Weight

148.16 g/mol

InChI Key

MOANRQDXNNXOLW-UHFFFAOYSA-N

CAS 62803-47-8

1 2D Structure

CAS 62803-47-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-hydroxy-2,3-dihydroinden-1-one

2.1.2 InChI

InChI=1S/C9H8O2/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5,10H,2,4H2

2.1.3 InChI Key

MOANRQDXNNXOLW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC(=O)C2=C1C=CC(=C2)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 62803-47-8

2. 6-hydroxy-2,3-dihydro-1h-inden-1-one

3. 6-hydroxy-2,3-dihydroinden-1-one

4. 6-hydroxyindan-1-one

5. 6-hydroxy-1-indenone

6. 6-hydroxyindanone

7. Mfcd00513530

8. 1h-inden-1-one, 2,3-dihydro-6-hydroxy-

9. Schembl28880

10. 6-hydroxy-1-indanone, 97%

11. Amot0795

12. Dtxsid80427271

13. Zinc2566516

14. Am1106

15. Akos015856378

16. Cs-w007571

17. Ac-23404

18. As-13471

19. Bp-13219

20. Sy047079

21. Ft-0649774

22. H1310

23. O11597

24. 803h478

25. A834001

2.3 Create Date

2006-07-29

3 Chemical and Physical Properties

Molecular Formula	C₉H₈O₂
Molecular Weight	148.16 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	148.052429494 g/mol
Monoisotopic Mass	148.052429494 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	176
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

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