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Also known as: 2224-00-2, 2-ethoxynaphthalene-1-carboxylic acid, 2-ethoxynaphthoic acid, 1-naphthalenecarboxylic acid, 2-ethoxy-, Timtec-bb sbb005771, Mfcd00004008
Molecular Formula
C13H12O3
Molecular Weight
216.23  g/mol
InChI Key
MYFBSSDLYGWAHH-UHFFFAOYSA-N

CAS 2224-00-2
1 2D Structure

CAS 2224-00-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-ethoxynaphthalene-1-carboxylic acid
2.1.2 InChI
InChI=1S/C13H12O3/c1-2-16-11-8-7-9-5-3-4-6-10(9)12(11)13(14)15/h3-8H,2H2,1H3,(H,14,15)
2.1.3 InChI Key
MYFBSSDLYGWAHH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC1=C(C2=CC=CC=C2C=C1)C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 2224-00-2

2. 2-ethoxynaphthalene-1-carboxylic Acid

3. 2-ethoxynaphthoic Acid

4. 1-naphthalenecarboxylic Acid, 2-ethoxy-

5. Timtec-bb Sbb005771

6. Mfcd00004008

7. 2-ethoxynaphtoic Acid, 98%

8. Einecs 218-745-7

9. 2-ethyloxy-1-naphthalenecarboxylic Acid

10. Schembl503962

11. Dtxsid9062277

12. Zinc405276

13. 2-ethoxy-1-naphthoic Acid, 97%

14. Amy40300

15. Bbl035839

16. Stl432188

17. Akos009156547

18. 2-ethoxy-naphthalene-1-carboxylic Acid

19. Ts-03085

20. 4-trifluoromethyl-n-methylaniline97

21. Db-045851

22. E0486

23. Ft-0612196

24. F20366

25. A816040

26. F2191-0038

27. 1-{(1s,2r)-1-[(11br)-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1,2-f][1,3,2]dioxaphosphepin-4-yloxy]-1-phenylpropan-2-yl}-3-phenylurea, Min. 97%

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 216.23 g/mol
Molecular Formula C13H12O3
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass216.078644241 g/mol
Monoisotopic Mass216.078644241 g/mol
Topological Polar Surface Area46.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity252
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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