Cas no 167478-83-3 (Methyl 1,6-dimethyl-1H-indole-2-carboxylate)
167478-83-3 structure
Product Name:Methyl 1,6-dimethyl-1H-indole-2-carboxylate
CAS No:167478-83-3
MF:C12H13NO2
MW:203.237123250961
CID:1084705
PubChem ID:4777668
Update Time:2025-04-20
Methyl 1,6-dimethyl-1H-indole-2-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 1,6-dimethyl-1H-indole-2-carboxylate
- AC1L4PYK
- AR-1J6290
- AR-1J6291
- CHEBI:69237
- CHEMBL425068
- Indol-3-carbinol
- methyl 1,4a-dimethyl-6-methylidene-5-[2-(2-oxo-2,5-dihydrofuran-3-yl)ethyl]decahydronaphthalene-1-carboxylate
- Methyl 1,4-dimethyl-2-indolecarboxylate
- methyl(1s,4ar,5s,8ar)-1,4a-dimethyl-6-methylidene-5-[2-(2-oxo-2,5-dihydrofuran-3-yl)ethyl]decahydronaphthalene-1-carboxylate
- Pinusolide
- SCHEMBL7881270
- 167478-83-3
- AKOS004116922
-
- Inchi： 1S/C12H13NO2/c1-8-4-5-9-7-11(12(14)15-3)13(2)10(9)6-8/h4-7H,1-3H3
- InChI Key： CCRLJNORBGOVIC-UHFFFAOYSA-N
- SMILES： O(C)C(C1=CC2C=CC(C)=CC=2N1C)=O
Computed Properties
- Exact Mass: 203.094628657g/mol
- Monoisotopic Mass: 203.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 254
- 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: 2.7
- Topological Polar Surface Area: 31.2?2
Methyl 1,6-dimethyl-1H-indole-2-carboxylate Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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