Cas no 129749-38-8 (Benzoic acid,3,3',3''-methylidynetris[6-hydroxy-)
129749-38-8 structure
Product Name:Benzoic acid,3,3',3''-methylidynetris[6-hydroxy-
CAS No:129749-38-8
MF:C22H16O9
MW:424.357047080994
CID:150356
PubChem ID:363942
Update Time:2025-04-19
Benzoic acid,3,3',3''-methylidynetris[6-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 5-[bis(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxybenzoic acid
- Benzoic acid, 3,3',3''-methylidynetris(6-hydroxy-
- ATA fraction 8, ammonium salt
- 5-[bis(3-carboxy-4-hydroxy-phenyl)methyl]-2-hydroxy-benzoic acid
- NSC629472
- TriCOOHtriOHPhMe
- CHEMBL113694
- 129749-38-8
- SCHEMBL9755165
- QU4
- 3,3',3''-Tricarboxy-4,4',4''-trihydroxytriphenylmethane
- DTXSID60156234
- 3,3',3''-Methylidynetris(6-hydroxybenzoic acid)
- Benzoic acid, 3,3',3''-methylidynetris[6-hydroxy-
- Benzoic acid,3,3',3''-methylidynetris[6-hydroxy-
-
- Inchi： 1S/C22H16O9/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31/h1-9,19,23-25H,(H,26,27)(H,28,29)(H,30,31)
- InChI Key： WDHMZEQRWAWXPD-UHFFFAOYSA-N
- SMILES： OC1C=CC(=CC=1C(=O)O)C(C1C=CC(=C(C(=O)O)C=1)O)C1C=CC(=C(C(=O)O)C=1)O
Computed Properties
- Exact Mass: 424.07938
- Monoisotopic Mass: 424.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 31
- Rotatable Bond Count: 6
- Complexity: 590
- 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: 4.5
- Topological Polar Surface Area: 173?2
Experimental Properties
- Density: 1.598
- Boiling Point: 718.1°C at 760 mmHg
- Flash Point: 402°C
- Refractive Index: 1.733
- PSA: 172.59
Benzoic acid,3,3',3''-methylidynetris[6-hydroxy- Related Literature
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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