Cas no 23639-77-2 (1,2,3-Benzenetributanoicacid)
1,2,3-Benzenetributanoicacid structure
Product Name:1,2,3-Benzenetributanoicacid
CAS No:23639-77-2
MF:C18H24O6
MW:336.379566192627
CID:265900
PubChem ID:71446944
Update Time:2025-04-19
1,2,3-Benzenetributanoicacid Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3-Benzenetributanoicacid
- 4-[2,3-bis(3-carboxypropyl)phenyl]butanoic acid
- 1,2,3-Benzenetributyricacid (8CI)
- Butanoic acid, 4,4',4''-(1,2,3-benzenetriyl)tris-
- Butyric acid,4,4',4''-v-phenenyltri-
- DTXSID20855296
- 23639-77-2
- 4,4',4''-(Benzene-1,2,3-triyl)tributanoic acid
-
- Inchi： 1S/C18H24O6/c19-16(20)10-2-7-13-5-1-6-14(8-3-11-17(21)22)15(13)9-4-12-18(23)24/h1,5-6H,2-4,7-12H2,(H,19,20)(H,21,22)(H,23,24)
- InChI Key： SEZRIIYZSIDVTF-UHFFFAOYSA-N
- SMILES： OC(CCCC1C(=CC=CC=1CCCC(=O)O)CCCC(=O)O)=O
Computed Properties
- Exact Mass: 336.15732
- Monoisotopic Mass: 336.15728848g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 24
- Rotatable Bond Count: 12
- Complexity: 392
- 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: 2.3
- Topological Polar Surface Area: 112?2
Experimental Properties
- PSA: 111.9
1,2,3-Benzenetributanoicacid Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
23639-77-2 (1,2,3-Benzenetributanoicacid) Related Products
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