Cas no 23405-34-7 (2-(Hydroxymethyl)terephthalic acid)
23405-34-7 structure
Product Name:2-(Hydroxymethyl)terephthalic acid
CAS No:23405-34-7
MF:C9H8O5
MW:196.156823158264
CID:2935453
Update Time:2023-08-10
2-(Hydroxymethyl)terephthalic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-(hydroxymethyl)terephthalic acid
- 2-(Hydroxymethyl)terephthalic acid
-
- Inchi： 1S/C9H8O5/c10-4-6-3-5(8(11)12)1-2-7(6)9(13)14/h1-3,10H,4H2,(H,11,12)(H,13,14)
- InChI Key： VXDNPRHLFXHOKH-UHFFFAOYSA-N
- SMILES： OCC1C=C(C(=O)O)C=CC=1C(=O)O
Computed Properties
- Exact Mass: 196.03717335 g/mol
- Monoisotopic Mass: 196.03717335 g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 237
- 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
- Molecular Weight: 196.16
- XLogP3: 0.1
- Topological Polar Surface Area: 94.8
2-(Hydroxymethyl)terephthalic acid Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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