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2D Structure
Also known as: 1247119-83-0, Benzeneacetic acid, 4-ethyl-alpha,alpha-dimethyl-, Mfcd13180614, 2-(4-ethylphenyl)-2-methylpropionic acid, 4-ethyl-alpha,alpha-dimethylbenzeneacetic acid, Schembl127737
Molecular Formula
C12H16O2
Molecular Weight
192.25  g/mol
InChI Key
ZTABWPDSXBXQMV-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(4-ethylphenyl)-2-methylpropanoic acid
2.1.2 InChI
InChI=1S/C12H16O2/c1-4-9-5-7-10(8-6-9)12(2,3)11(13)14/h5-8H,4H2,1-3H3,(H,13,14)
2.1.3 InChI Key
ZTABWPDSXBXQMV-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCC1=CC=C(C=C1)C(C)(C)C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1247119-83-0

2. Benzeneacetic Acid, 4-ethyl-alpha,alpha-dimethyl-

3. Mfcd13180614

4. 2-(4-ethylphenyl)-2-methylpropionic Acid

5. 4-ethyl-alpha,alpha-dimethylbenzeneacetic Acid

6. Schembl127737

7. Ztabwpdsxbxqmv-uhfffaoysa-n

8. Amy39789

9. Bcp19020

10. Cs-b0282

11. Akos011833120

12. Sb13179

13. 2-(4-ethylphenyl)-2-methylpropanoicacid

14. Cs-13287

15. Sy045654

16. 4-ethyl-

17. A,

18. A-dimethyl-benzeneacetic Acid

19. Db-364067

20. En300-101345

21. A935511

22. Z992734918

2.3 Create Date
2012-08-19
3 Chemical and Physical Properties
Molecular Weight 192.25 g/mol
Molecular Formula C12H16O2
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area37.3
Heavy Atom Count14
Formal Charge0
Complexity200
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1