Cas no 522648-40-4 (Methyl 3-formyl-5-methyl-1H-indole-2-carboxylate)
522648-40-4 structure
Product Name:Methyl 3-formyl-5-methyl-1H-indole-2-carboxylate
CAS No:522648-40-4
MF:C12H11NO3
MW:217.220643281937
CID:936669
Update Time:2023-08-03
Methyl 3-formyl-5-methyl-1H-indole-2-carboxylate Chemical and Physical Properties
Names and Identifiers
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- AKOS JY2082909
- 1H-INDOLE-2-CARBOXYLIC ACID,3-FORMYL-5-METHYL-,METHYL ESTER
- 1H-INDOLE-2-CARBOXYLIC ACID,3-FORMYL-5-METHYL-,MET
- Methyl 3-formyl-5-methyl-1H-indole-2-carboxylate
-
- Inchi： 1S/C12H11NO3/c1-7-3-4-10-8(5-7)9(6-14)11(13-10)12(15)16-2/h3-6,13H,1-2H3
- InChI Key： JNSVXMJLMJBREX-UHFFFAOYSA-N
- SMILES： O(C)C(C1=C(C=O)C2C=C(C)C=CC=2N1)=O
Computed Properties
- Exact Mass: 217.074
- Monoisotopic Mass: 217.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 292
- 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: 59.2
Methyl 3-formyl-5-methyl-1H-indole-2-carboxylate Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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