Cas no 104778-01-0 (9H-Carbazole-1-carboxaldehyde,2,7-dimethoxy-6-methyl-)
104778-01-0 structure
Product Name:9H-Carbazole-1-carboxaldehyde,2,7-dimethoxy-6-methyl-
CAS No:104778-01-0
MF:C16H15NO3
MW:269.295204401016
CID:199682
Update Time:2024-02-29
9H-Carbazole-1-carboxaldehyde,2,7-dimethoxy-6-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 9H-Carbazole-1-carboxaldehyde,2,7-dimethoxy-6-methyl-
- 2,7-Dimethoxy-6-methyl-9H-carbazole-1-carbaldehyde
- Murrayaline
- Murrayaline A
- 9H-Carbazole-1-carboxaldehyde, 2,7-dimethoxy-6-methyl-
-
- Inchi： 1S/C16H15NO3/c1-9-6-11-10-4-5-14(19-2)12(8-18)16(10)17-13(11)7-15(9)20-3/h4-8,17H,1-3H3
- InChI Key： LYDDEDTUWKVACV-UHFFFAOYSA-N
- SMILES： N1C2=C(C=C(C)C(OC)=C2)C2=C1C(C=O)=C(OC)C=C2
Computed Properties
- Exact Mass: 337.16789
- Monoisotopic Mass: 269.105
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 362
- 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: 51.3A^2
- XLogP3: 2.309
Experimental Properties
- PSA: 40.46
9H-Carbazole-1-carboxaldehyde,2,7-dimethoxy-6-methyl- Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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