Cas no 15258-56-7 (Benzonitrile,2,3,4-trihydroxy-)
15258-56-7 structure
Product Name:Benzonitrile,2,3,4-trihydroxy-
CAS No:15258-56-7
MF:C7H5NO3
MW:151.119501829147
CID:120882
PubChem ID:13746836
Update Time:2025-04-18
Benzonitrile,2,3,4-trihydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile,2,3,4-trihydroxy-
- 2,3,4-TRIHYDROXYBENZONITRILE
- Benzonitrile,2,3,4-trihydroxy
- 15258-56-7
- DTXSID20548292
- SCHEMBL1266875
- AKOS006278550
- GPXIMVVEQNCDGW-UHFFFAOYSA-N
- 2,3,4-trihydroxybenzonitril
- FT-0691359
-
- Inchi： 1S/C7H5NO3/c8-3-4-1-2-5(9)7(11)6(4)10/h1-2,9-11H
- InChI Key： GPXIMVVEQNCDGW-UHFFFAOYSA-N
- SMILES： OC1C(=CC=C(C#N)C=1O)O
Computed Properties
- Exact Mass: 151.02700
- Monoisotopic Mass: 151.026943022g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 185
- 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: 1.1
- Topological Polar Surface Area: 84.5?2
Experimental Properties
- PSA: 84.48000
- LogP: 0.67508
Benzonitrile,2,3,4-trihydroxy- Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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