CAS 70977-72-9

1 2D Structure

CAS 70977-72-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(3-amino-2-hydroxyphenyl)ethanone

2.1.2 InChI

InChI=1S/C8H9NO2/c1-5(10)6-3-2-4-7(9)8(6)11/h2-4,11H,9H2,1H3

2.1.3 InChI Key

NLLYXOVHEQVWJF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)C1=C(C(=CC=C1)N)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 70977-72-9

2. 3'-amino-2'-hydroxyacetophenone

3. 3-amino-2-hydroxyacetophenone

4. Ethanone, 1-(3-amino-2-hydroxyphenyl)-

5. 3-amino-2-hydroxy Acetophenone

6. 1-(3-amino-2-hydroxyphenyl)ethan-1-one

7. Mfcd03428566

8. 1-(3-amino-2-hydroxy-phenyl)-ethanone

9. Schembl3378787

10. 3-aminoc2-hydroxy Acetophenone

11. 2'-hydroxy-3'-aminoacetophenone

12. Amy8741

13. Dtxsid70332628

14. Zinc2586023

15. Akos006278372

16. Ac-8264

17. Cs-w019401

18. Gs-3295

19. Sb76554

20. Sy022839

21. Ft-0648953

22. A25196

23. 005a553

24. J-511541

25. 3 Inverted Exclamation Mark -amino-2 Inverted Exclamation Mark -hydroxyacetophenone

2.3 Create Date

2005-08-01

3 Chemical and Physical Properties

Molecular Formula	C₈H₉NO₂
Molecular Weight	151.16 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	151.063328530 g/mol
Monoisotopic Mass	151.063328530 g/mol
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	158
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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CAS 70977-72-9

Chemistry

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