Cas no 483341-74-8 (1H-Indol-5-ol,6-methoxy-2-methyl-(9CI))
483341-74-8 structure
Product Name:1H-Indol-5-ol,6-methoxy-2-methyl-(9CI)
CAS No:483341-74-8
MF:C10H11NO2
MW:177.199842691422
CID:1017314
Update Time:2022-09-23
1H-Indol-5-ol,6-methoxy-2-methyl-(9CI) Chemical and Physical Properties
Names and Identifiers
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- 1H-Indol-5-ol,6-methoxy-2-methyl-(9CI)
- 1H-Indol-5-ol, 6-methoxy-2-methyl-
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- Inchi： 1S/C10H11NO2/c1-6-3-7-4-9(12)10(13-2)5-8(7)11-6/h3-5,11-12H,1-2H3
- InChI Key： MTUUUKHPQAIUES-UHFFFAOYSA-N
- SMILES： N1C2=C(C=C(O)C(OC)=C2)C=C1C
Computed Properties
- Exact Mass: 177.079
- Monoisotopic Mass: 177.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 186
- 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
- Topological Polar Surface Area: 45.2A^2
1H-Indol-5-ol,6-methoxy-2-methyl-(9CI) Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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