Cas no 104291-65-8 (2-(hydroxymethyl)-1H-Indole-6-carbonitrile)
104291-65-8 structure
Product Name:2-(hydroxymethyl)-1H-Indole-6-carbonitrile
CAS No:104291-65-8
MF:C10H8N2O
MW:172.18332195282
CID:1084635
PubChem ID:13567959
Update Time:2025-04-20
2-(hydroxymethyl)-1H-Indole-6-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-(hydroxymethyl)-1H-Indole-6-carbonitrile
- (1H-Indol-2-yl)methanol
- (1H-indol-3-yl)methanol
- (1H-indole-2-yl)methanol
- 1H-Indole-2-methanol
- 2-(Hydroxymethyl)indol-6-carbonitril
- 2-(Hydroxymethyl)indole
- 2-(hydroxymethyl)indole-6-carbonitrile
- 2-Hydroxymethylindole
- 2-hydroxymethylindole-6-carbonitrile
- AC1Q7CDX
- AGN-PC-0CQJV7
- AN-068
- indol-2-ylmethan-1-ol
- indole-2-methanol
- 104291-65-8
- SCHEMBL7442607
- 2-(hydroxymethyl)-1H- indole-6-carbonitrile
- DB-133848
-
- Inchi： 1S/C10H8N2O/c11-5-7-1-2-8-4-9(6-13)12-10(8)3-7/h1-4,12-13H,6H2
- InChI Key： ICEFKSYRAATNAU-UHFFFAOYSA-N
- SMILES： OCC1=CC2C=CC(C#N)=CC=2N1
Computed Properties
- Exact Mass: 172.06374
- Monoisotopic Mass: 172.063662883g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 232
- 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: 0.9
- Topological Polar Surface Area: 59.8?2
Experimental Properties
- PSA: 59.81
2-(hydroxymethyl)-1H-Indole-6-carbonitrile Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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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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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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