Cas no 3537-60-8 (1,3-Benzenediaceticacid, 2,4,6-trimethyl-)
3537-60-8 structure
Product Name:1,3-Benzenediaceticacid, 2,4,6-trimethyl-
CAS No:3537-60-8
MF:C13H16O4
MW:236.263744354248
CID:295949
PubChem ID:56972281
Update Time:2025-04-19
1,3-Benzenediaceticacid, 2,4,6-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenediaceticacid, 2,4,6-trimethyl-
- m-Benzenediaceticacid, 2,4,6-trimethyl- (7CI,8CI)
- 2-[3-(carboxymethyl)-2,4,6-trimethylphenyl]acetic acid
- 3537-60-8
- J-800211
- DTXSID40719346
- J-640209
- 2,2'-(2,4,6-Trimethyl-1,3-phenylene)diacetic acid
-
- Inchi： 1S/C13H16O4/c1-7-4-8(2)11(6-13(16)17)9(3)10(7)5-12(14)15/h4H,5-6H2,1-3H3,(H,14,15)(H,16,17)
- InChI Key： ZJQSBNYDKHVJJJ-UHFFFAOYSA-N
- SMILES： OC(CC1C(C)=CC(C)=C(CC(=O)O)C=1C)=O
Computed Properties
- Exact Mass: 236.10488
- Monoisotopic Mass: 236.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 272
- 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: 1.9
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
1,3-Benzenediaceticacid, 2,4,6-trimethyl- Related Literature
-
Ermitas Alcalde,Rosa M. Ceder,Cristina López,Neus Mesquida,Guillermo Muller,Sandra Rodríguez Dalton Trans. 2007 2696
3537-60-8 (1,3-Benzenediaceticacid, 2,4,6-trimethyl-) Related Products
- 621-36-3(m-Tolylacetic acid)
- 644-36-0(o-Tolylacetic acid)
- 30981-98-7(2-(2,3-Dimethylphenyl)acetic acid)
- 4408-60-0(Mesitylacetic acid)
- 13612-34-5(2-(2,5-dimethylphenyl)acetic acid)
- 7500-53-0(2-[2-(carboxymethyl)phenyl]acetic acid)
- 7325-46-4(1,4-Phenylenediacetic acid)
- 42288-46-0(3,5-Dimethylphenylacetic acid)
- 622-47-9(2-(p-tolyl)acetic acid)
- 6331-04-0(2-(2,4-dimethylphenyl)acetic acid)
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