Cas no 29957-88-8 (5-methyl-1H-Indole-3-propanol)
5-methyl-1H-Indole-3-propanol structure
Product Name:5-methyl-1H-Indole-3-propanol
CAS No:29957-88-8
MF:C12H15NO
MW:189.253603219986
CID:1110498
PubChem ID:44720691
Update Time:2025-04-20
5-methyl-1H-Indole-3-propanol Chemical and Physical Properties
Names and Identifiers
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- 5-methyl-1H-Indole-3-propanol
- 29957-88-8
- DTXSID501307905
- AKOS006271668
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- Inchi： 1S/C12H15NO/c1-9-4-5-12-11(7-9)10(8-13-12)3-2-6-14/h4-5,7-8,13-14H,2-3,6H2,1H3
- InChI Key： GROWWSKGUNRXTI-UHFFFAOYSA-N
- SMILES： OCCCC1=CNC2C=CC(C)=CC1=2
Computed Properties
- Exact Mass: 189.115364102g/mol
- Monoisotopic Mass: 189.115364102g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 183
- 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
- Topological Polar Surface Area: 36?2
5-methyl-1H-Indole-3-propanol Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
29957-88-8 (5-methyl-1H-Indole-3-propanol) Related Products
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