Cas no 1216609-93-6 (Indole-3-carbinol hydrate)
Indole-3-carbinol hydrate structure
Product Name:Indole-3-carbinol hydrate
CAS No:1216609-93-6
MF:C9H11NO2
MW:165.189142465591
CID:859469
Update Time:2023-08-02
Indole-3-carbinol hydrate Chemical and Physical Properties
Names and Identifiers
-
- (1H-indol-3-yl)Methanol hydrate
- Indole-3-carbinol hydrate
- 1H-indol-3-ylmethanol hydrate
- 1H-indol-3-ylmethanol;hydrate
- INDOLE-3-CARBINOLHYDRATE
- 1H-indol-3-ylmethanol,hydrate
- indol-3-ylmethan-1-ol, hydrate
- (1H-Indol-3-yl)methanol xhydrate
- SBB055979
- indole-3-carbinol hydrate, AldrichCPR
- A805057
-
- Inchi： 1S/C9H9NO.H2O/c11-6-7-5-10-9-4-2-1-3-8(7)9;/h1-5,10-11H,6H2;1H2
- InChI Key： OMEVEHLSJRKSEF-UHFFFAOYSA-N
- SMILES： OCC1=CNC2C=CC=CC1=2.O
Computed Properties
- Exact Mass: 165.078978594 g/mol
- Monoisotopic Mass: 165.078978594 g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 138
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 37
- Molecular Weight: 165.19
Indole-3-carbinol hydrate Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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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
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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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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