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 Formula	C₁₃H₁₂O₃
Molecular Weight	216.23 g/mol
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	216.078644241 g/mol
Monoisotopic Mass	216.078644241 g/mol
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	252
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 2224-00-2

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