CAS 500-49-2

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Also known as: 500-49-2, Divarin, 1,3-benzenediol, 5-propyl-, 5-propyl-1,3-benzenediol, Divarinol, 5-propylresorcinol

Molecular Formula

C₉H₁₂O₂

Molecular Weight

152.19 g/mol

InChI Key

FRNQLQRBNSSJBK-UHFFFAOYSA-N

FDA UNII

V6Z4S3VKS6

1 2D Structure

CAS 500-49-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-propylbenzene-1,3-diol

2.1.2 InChI

InChI=1S/C9H12O2/c1-2-3-7-4-8(10)6-9(11)5-7/h4-6,10-11H,2-3H2,1H3

2.1.3 InChI Key

FRNQLQRBNSSJBK-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

V6Z4S3VKS6

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 500-49-2

2. Divarin

3. 1,3-benzenediol, 5-propyl-

4. 5-propyl-1,3-benzenediol

5. Divarinol

6. 5-propylresorcinol

7. Mfcd10686919

8. 5-n-propylresorcinol

9. V6z4s3vks6

10. 1,3-dihydroxy-5-propylbenzene

11. Chebi:144241

12. Dtxsid40198172

13. 5-n-propyl-1,3-dihydroxybenzene

14. 5-propyl Resorcinol; 5-propylresorcinol; 5-n-propyl-1,3-dihydroxybenzene; 5-n-propylresorcinol; Divarin; Divarinol

15. 5-propyl Resorcinol

16. Schembl67909

17. Dtxcid70120663

18. Frnqlqrbnssjbk-uhfffaoysa-n

19. Akos022634802

20. Sy042170

21. Ws-00349

22. Db-207184

23. Cs-0168735

24. En300-36597

25. W19028

26. A1-02506

27. Z367653796

2.4 Create Date

2005-08-09

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₂O₂
Molecular Weight	152.19 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	40.5
Heavy Atom Count	11
Formal Charge	0
Complexity	104
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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