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CAS 103204-69-9
PharmaCompass
  • Chemistry
CAS 103204-69-9
Also known as: 103204-69-9, 4-(acetylamino)-2-methylbenzoic acid, Benzoic acid, 4-(acetylamino)-2-methyl-, Mfcd02258874, Sbb058914, 4-acetamido-2-methyl-benzoic acid
Molecular Formula
C10H11NO3
Molecular Weight
193.202  g/mol
InChI Key
AQPDTYYKDYMCTH-UHFFFAOYSA-N

1 2D Structure

CAS 103204-69-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-acetamido-2-methylbenzoic acid
2.1.2 InChI
InChI=1S/C10H11NO3/c1-6-5-8(11-7(2)12)3-4-9(6)10(13)14/h3-5H,1-2H3,(H,11,12)(H,13,14)
2.1.3 InChI Key
AQPDTYYKDYMCTH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C=CC(=C1)NC(=O)C)C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 103204-69-9

2. 4-(acetylamino)-2-methylbenzoic Acid

3. Benzoic Acid, 4-(acetylamino)-2-methyl-

4. Mfcd02258874

5. Sbb058914

6. 4-acetamido-2-methyl-benzoic Acid

7. Acmc-20amqf

8. 4-acetamido-o-toluic Acid

9. Ac1mc2u1

10. Schembl377804

11. Ctk3j5646

12. 4'-acetamido-2-methylbenzoicacid

13. Dtxsid50370624

14. Aqpdtyykdymcth-uhfffaoysa-n

15. Molport-001-770-853

16. Zinc404118

17. 4-acetylamino-2-methylbenzoic Acid

18. Act08036

19. 4-acetylamino-2-methyl-benzoic Acid

20. O-toluic Acid, 4-acetamido- (6ci)

21. Akos009159401

22. Mcule-8562263340

23. N-acetyl-4-amino-2-methyl-benzoic Acid

24. 4-acetamido-2-methylbenzoic Acid, 96%

25. Benzoic Acid,4-(acetylamino)-2-methyl-

26. Aj-22243

27. Ak-40258

28. Bp-10615

29. Sc-89427

30. Kb-188789

31. Rt-002621

32. St50827367

33. X8018

34. Ae-562/43460584

35. I14-34009

2.3 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 193.202 g/mol
Molecular Formula C10H11NO3
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass193.074 g/mol
Monoisotopic Mass193.074 g/mol
Topological Polar Surface Area66.4 A^2
Heavy Atom Count14
Formal Charge0
Complexity240
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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