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Overview

Product

CAS 103204-69-9

CAS 103204-69-9

CAS 103204-69-9

Chemistry

Chemistry

Manufacturers/Suppliers

2 Suppliers

2 Suppliers

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 Formula	C₁₀H₁₁NO₃
Molecular Weight	193.202 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	193.074 g/mol
Monoisotopic Mass	193.074 g/mol
Topological Polar Surface Area	66.4 A^2
Heavy Atom Count	14
Formal Charge	0
Complexity	240
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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