Cas no 61838-93-5 (1H-Indole-2-carboxylic acid, 6-methoxy-1,3-dimethyl-, ethyl ester)
61838-93-5 structure
Product Name:1H-Indole-2-carboxylic acid, 6-methoxy-1,3-dimethyl-, ethyl ester
CAS No:61838-93-5
MF:C14H17NO3
MW:247.289684057236
CID:464936
PubChem ID:12294624
Update Time:2025-04-19
1H-Indole-2-carboxylic acid, 6-methoxy-1,3-dimethyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-2-carboxylic acid, 6-methoxy-1,3-dimethyl-, ethyl ester
- ethyl 6-methoxy-1,3-dimethylindole-2-carboxylate
- AKOS024254621
- 61838-93-5
- DTXSID10485344
-
- Inchi： 1S/C14H17NO3/c1-5-18-14(16)13-9(2)11-7-6-10(17-4)8-12(11)15(13)3/h6-8H,5H2,1-4H3
- InChI Key： VXPAMODDEMHLGM-UHFFFAOYSA-N
- SMILES： O(CC)C(C1=C(C)C2C=CC(=CC=2N1C)OC)=O
Computed Properties
- Exact Mass: 247.12091
- Monoisotopic Mass: 247.12084340g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 307
- 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: 2.9
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
1H-Indole-2-carboxylic acid, 6-methoxy-1,3-dimethyl-, ethyl ester Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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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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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Jason Wan Lab Chip, 2020,20, 4528-4538
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