Cas no 161156-00-9 (Methyl 4,6,7-trimethoxy-1H-indole-2-carboxylate)
161156-00-9 structure
Product Name:Methyl 4,6,7-trimethoxy-1H-indole-2-carboxylate
CAS No:161156-00-9
MF:C13H15NO5
MW:265.261904001236
CID:109700
PubChem ID:10378173
Update Time:2025-04-18
Methyl 4,6,7-trimethoxy-1H-indole-2-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 4,6,7-trimethoxy-1H-indole-2-carboxylate
- 1H-Indole-2-carboxylicacid, 4,6,7-trimethoxy-, methyl ester
- METHYL 4,6,7-TRIMETHOXYINDOLE-2-CARBOXYLATE
- AC-32008
- Methyl4,6,7-trimethoxy-1H-indole-2-carboxylate
- 1H-Indole-2-carboxylic acid, 4,6,7-trimethoxy-, methyl ester
- 161156-00-9
- AKOS000123970
- DTXSID90438994
- Z363993118
-
- Inchi： 1S/C13H15NO5/c1-16-9-6-10(17-2)12(18-3)11-7(9)5-8(14-11)13(15)19-4/h5-6,14H,1-4H3
- InChI Key： CCWLCFJVPRBLOT-UHFFFAOYSA-N
- SMILES： O(C)C1=C(C=C(C2C=C(C(=O)OC)NC=21)OC)OC
Computed Properties
- Exact Mass: 265.09505
- Monoisotopic Mass: 265.09502258g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 324
- 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: 2.1
- Topological Polar Surface Area: 69.8?2
Experimental Properties
- PSA: 69.78
Methyl 4,6,7-trimethoxy-1H-indole-2-carboxylate Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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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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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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