Cas no 13307-67-0 (1H-Indole-1-carboxylicacid, ethyl ester)
13307-67-0 structure
Product Name:1H-Indole-1-carboxylicacid, ethyl ester
CAS No:13307-67-0
MF:C11H11NO2
MW:189.210542917252
CID:231452
PubChem ID:83328
Update Time:2025-04-19
1H-Indole-1-carboxylicacid, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-1-carboxylicacid, ethyl ester
- ethyl 1H-indole-1-carboxylate
- ethyl indole-1-carboxylate
- Einecs 236-335-6
- 1H-Indole-1-carboxylic acid ethyl ester
- NSC81240
- CCG-40433
- GLJ4AM3CWV
- NSC 81240
- UNII-GLJ4AM3CWV
- 1H-Indole-1-carboxylic acid, ethyl ester
- Indole-1-carboxylic acid, ethyl ester
- 1-(Carbethoxy)indole
- NS00024261
- OEXNQFWEJRSZBW-UHFFFAOYSA-N
- NSC-81240
- DTXSID10157938
- Indole-1-carboxylic acid ethyl ester
- SCHEMBL600415
- 13307-67-0
- 1H-Indole-1-carboxylicacid,ethyl ester
- N-(Ethoxycarbonyl)indole
- 1-(Ethoxycarbonyl)-1H-indole
- Ethyl 1-indolecarboxylate
-
- Inchi： 1S/C11H11NO2/c1-2-14-11(13)12-8-7-9-5-3-4-6-10(9)12/h3-8H,2H2,1H3
- InChI Key： OEXNQFWEJRSZBW-UHFFFAOYSA-N
- SMILES： O(CC)C(N1C=CC2C=CC=CC1=2)=O
Computed Properties
- Exact Mass: 189.07903
- Monoisotopic Mass: 189.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 217
- 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: 31.2A^2
- XLogP3: 2.7
Experimental Properties
- Density: 1.13
- Boiling Point: 303.3°Cat760mmHg
- Flash Point: 137.3°C
- Refractive Index: 1.564
- PSA: 31.23
- LogP: 2.64590
1H-Indole-1-carboxylicacid, ethyl ester Related Literature
-
Jason E. Camp,Donald Craig,Kiyohiko Funai,Andrew J. P. White Org. Biomol. Chem. 2011 9 7904
-
Suguru Ito,Tomohiro Taguchi,Takeshi Yamada,Takashi Ubukata,Yoshitaka Yamaguchi,Masatoshi Asami RSC Adv. 2017 7 16953
-
Marco V. Mijangos,Luis D. Miranda Org. Biomol. Chem. 2018 16 9409
-
Mitsuhiro Wada,Takahisa Murata,Hideaki Oikawa,Hiroki Oguri Org. Biomol. Chem. 2014 12 298
-
Dorothea Helmer,Kevin Brahm,Christian Helmer,Julia Susanne Wack,Gerald Brenner-Weiss,Katja Schmitz Anal. Methods 2016 8 4142
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