Cas no 2529-39-7 (Benzoic acid,2,3,4,5-tetramethyl-)
2529-39-7 structure
Product Name:Benzoic acid,2,3,4,5-tetramethyl-
CAS No:2529-39-7
MF:C11H14O2
MW:178.227663516998
CID:276329
PubChem ID:137629
Update Time:2025-04-19
Benzoic acid,2,3,4,5-tetramethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2,3,4,5-tetramethyl-
- 2,3,4,5-tetramethylbenzoic acid
- 2529-39-7
- SCHEMBL625521
- 2,3,4,5-Tetramethyl benzoic acid
- 2,3,4,5-TETRAMETHYL-BENZOIC ACID
- tetramethylbenzoic acid
- DTXSID20179929
- AKOS004907069
-
- Inchi： 1S/C11H14O2/c1-6-5-10(11(12)13)9(4)8(3)7(6)2/h5H,1-4H3,(H,12,13)
- InChI Key： JEBOPSGVIIUIQD-UHFFFAOYSA-N
- SMILES： OC(C1C=C(C)C(C)=C(C)C=1C)=O
Computed Properties
- Exact Mass: 178.09942
- Monoisotopic Mass: 178.099
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 200
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 1.066
- Boiling Point: 327.3°Cat760mmHg
- Flash Point: 152.2°C
- Refractive Index: 1.54
- PSA: 37.3
Benzoic acid,2,3,4,5-tetramethyl- Related Literature
-
1. Organic chemistry
-
B. J. Abadir,J. W. Cook,D. T. Gibson J. Chem. Soc. 1953 8
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3. 147. The isomerisation of aromatic ketones through the agency of aluminium chlorideG. Baddeley,A. G. Pendleton J. Chem. Soc. 1952 807
2529-39-7 (Benzoic acid,2,3,4,5-tetramethyl-) Related Products
- 528-44-9(Trimellic Acid)
- 528-90-5(2,4,5-Trimethylbenzoic acid)
- 118-90-1(O-Toluic acid)
- 119-67-5(2-Carboxybenzaldehyde)
- 89-05-4(Pyromellitic acid)
- 480-63-7(2,4,6-Trimethylbenzoic acid)
- 569-51-7(1,2,3-Benzenetricarboxylic acid)
- 88-99-3(Phthalic acid)
- 610-72-0(2,5-Dimethylbenzoic acid)
- 603-79-2(2,3-Dimethylbenzoic Acid)
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