CAS 6261-22-9

1 2D Structure

CAS 6261-22-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

pent-2-yn-1-ol

2.1.2 InChI

InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,2,5H2,1H3

2.1.3 InChI Key

WLPYSOCRPHTIDZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCC#CCO

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 6261-22-9

2. Pent-2-yn-1-ol

3. Mfcd00040915

4. 2-pentyne-1-ol

5. 2-pentynol

6. Einecs 228-411-2

7. Ai3-37254

8. 2-pentyn-1-ol, 98%

9. Dtxsid0064177

10. Amy1239

11. Albb-031790

12. Zinc2168472

13. Akos015837601

14. Ls-11579

15. Sy048461

16. Db-073158

17. Cs-0143646

18. Ft-0613267

19. P0815

20. F19221

21. A833880

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₅H₈O
Molecular Weight	84.12 g/mol
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	84.057514874 g/mol
Monoisotopic Mass	84.057514874 g/mol
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	72.4
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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