Cas no 70178-13-1 (2-(3-hydroxyphenyl)-1h-indole-4,7-diol)
70178-13-1 structure
Product Name:2-(3-hydroxyphenyl)-1h-indole-4,7-diol
CAS No:70178-13-1
MF:C14H11NO3
MW:241.242043733597
CID:974727
PubChem ID:314684
Update Time:2025-04-19
2-(3-hydroxyphenyl)-1h-indole-4,7-diol Chemical and Physical Properties
Names and Identifiers
-
- 2-(3-hydroxyphenyl)-1h-indole-4,7-diol
- 2-(3-hydroxy-phenyl)-indole-4,7-diol
- AC1L7Q3Q
- NSC234023
- NSC-234023
- DTXSID80310896
- 70178-13-1
-
- Inchi： 1S/C14H11NO3/c16-9-3-1-2-8(6-9)11-7-10-12(17)4-5-13(18)14(10)15-11/h1-7,15-18H
- InChI Key： JTUZMVMXDQUGQJ-UHFFFAOYSA-N
- SMILES： OC1=CC=C(C2C=C(C3C=CC=C(C=3)O)NC=21)O
Computed Properties
- Exact Mass: 241.07393
- Monoisotopic Mass: 241.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 299
- 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: 2.6
- Topological Polar Surface Area: 76.5?2
Experimental Properties
- PSA: 76.48
- LogP: 2.95170
2-(3-hydroxyphenyl)-1h-indole-4,7-diol Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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