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2D Structure
Also known as: 23876-13-3, (2-methyl-3-nitrophenyl)methanol, 2-methyl-3-nitrobenzylalcohol, Benzenemethanol, 2-methyl-3-nitro-, 1ex8sc1etw, 2-methyl-3-nitrobenzenemethanol
Molecular Formula
C8H9NO3
Molecular Weight
167.16  g/mol
InChI Key
QJANIQCEDPJNLO-UHFFFAOYSA-N
FDA UNII
1EX8SC1ETW

(2-methyl-3-nitrophenyl)methanol is a natural product found in Acca sellowiana with data available.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2-methyl-3-nitrophenyl)methanol
2.1.2 InChI
InChI=1S/C8H9NO3/c1-6-7(5-10)3-2-4-8(6)9(11)12/h2-4,10H,5H2,1H3
2.1.3 InChI Key
QJANIQCEDPJNLO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C=CC=C1[N+](=O)[O-])CO
2.2 Other Identifiers
2.2.1 UNII
1EX8SC1ETW
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 23876-13-3

2. (2-methyl-3-nitrophenyl)methanol

3. 2-methyl-3-nitrobenzylalcohol

4. Benzenemethanol, 2-methyl-3-nitro-

5. 1ex8sc1etw

6. 2-methyl-3-nitrobenzenemethanol

7. Einecs 245-923-1

8. (2-methyl-3-nitro-phenyl)-methanol

9. Unii-1ex8sc1etw

10. Schembl715298

11. 2-methyl-3-nitrophenylmethanol

12. 2-methyl-3-nitro Benzylalcohol

13. Dalc2-h_000050

14. 2-methyl-3-nitro Benzyl Alcohol

15. Dtxsid20178578

16. Zinc2567947

17. (2-methyl-3-nitrophenyl)methanol #

18. Mfcd00007166

19. Akos009156888

20. 2-methyl-3-nitrobenzyl Alcohol, 99%

21. 3-hydroxymethyl-2-methyl-1-nitrobenzene

22. As-17900

23. Db-021338

24. Am20030418

25. Cs-0097438

26. Ft-0638363

27. A816957

28. J-015255

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 167.16 g/mol
Molecular Formula C8H9NO3
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass167.058243149 g/mol
Monoisotopic Mass167.058243149 g/mol
Topological Polar Surface Area66 Ų
Heavy Atom Count12
Formal Charge0
Complexity166
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1