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Also known as: 103204-69-9, Benzoic acid, 4-(acetylamino)-2-methyl-, 4-(acetylamino)-2-methylbenzoic acid, 4-acetamido-2-methyl-benzoic acid, Mfcd02258874, 4-acetamido-o-toluic acid
Molecular Formula
C10H11NO3
Molecular Weight
193.20  g/mol
InChI Key
AQPDTYYKDYMCTH-UHFFFAOYSA-N

CAS 103204-69-9
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. Benzoic Acid, 4-(acetylamino)-2-methyl-

3. 4-(acetylamino)-2-methylbenzoic Acid

4. 4-acetamido-2-methyl-benzoic Acid

5. Mfcd02258874

6. 4-acetamido-o-toluic Acid

7. Schembl377804

8. 4-acetamido-2-methylbenzoicacid

9. 4'-acetamido-2-methylbenzoicacid

10. Dtxsid50370624

11. Zinc404118

12. 4-acetylamino-2-methylbenzoic Acid

13. Act08036

14. 4-acetylamino-2-methyl-benzoic Acid

15. Akos009159401

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

17. 4-acetamido-2-methylbenzoic Acid, 96%

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

19. Bp-10615

20. Ps-11353

21. Cs-0186930

22. D88534

23. Ae-562/43460584

24. 2-({2-oxo-2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazino]ethyl}thio)aceticacid

2.3 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 193.20 g/mol
Molecular Formula C10H11NO3
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass193.07389321 g/mol
Monoisotopic Mass193.07389321 g/mol
Topological Polar Surface Area66.4 Ų
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

BUILDING BLOCK

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