Cas no 609-98-3 (1,3,5-Benzenetricarboxylic acid, 2-hydroxy-)
609-98-3 structure
Product Name:1,3,5-Benzenetricarboxylic acid, 2-hydroxy-
CAS No:609-98-3
MF:C9H6O7
MW:226.139743328094
CID:1624280
PubChem ID:23424032
Update Time:2025-04-21
1,3,5-Benzenetricarboxylic acid, 2-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Benzenetricarboxylic acid, 2-hydroxy-
- 1-Hydroxybenzene-2,4,6-tricarboxylic acid
- 2-hydroxybenzene-1,3,5-tricarboxylic acid
- DTXSID50633943
- SCHEMBL2728246
- 609-98-3
- 2-hydroxy-benzene-1,3,5-tricarboxylic acid
-
- Inchi： 1S/C9H6O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H,(H,11,12)(H,13,14)(H,15,16)
- InChI Key： AYARGAAVUXXAON-UHFFFAOYSA-N
- SMILES： OC1C(C(=O)O)=CC(C(=O)O)=CC=1C(=O)O
Computed Properties
- Exact Mass: 226.01128
- Monoisotopic Mass: 226.01135253g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 300
- 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: 0.7
- Topological Polar Surface Area: 132?2
Experimental Properties
- PSA: 132.13
1,3,5-Benzenetricarboxylic acid, 2-hydroxy- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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