Cas no 105399-10-8 (3-acetyl-1H-Indole-2-carboxylic acid)
105399-10-8 structure
Product Name:3-acetyl-1H-Indole-2-carboxylic acid
CAS No:105399-10-8
MF:C11H9NO3
MW:203.194062948227
CID:1097578
PubChem ID:15090443
Update Time:2025-04-20
3-acetyl-1H-Indole-2-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-acetyl-1H-Indole-2-carboxylic acid
- 105399-10-8
- SCHEMBL2339411
- OYPBMIAOTCXDQQ-UHFFFAOYSA-N
- 1H-Indole-2-carboxylic acid, 3-acetyl-
- DTXSID40568053
-
- Inchi： 1S/C11H9NO3/c1-6(13)9-7-4-2-3-5-8(7)12-10(9)11(14)15/h2-5,12H,1H3,(H,14,15)
- InChI Key： OYPBMIAOTCXDQQ-UHFFFAOYSA-N
- SMILES： O=C(C)C1=C(C(=O)O)NC2C=CC=CC1=2
Computed Properties
- Exact Mass: 203.05827
- Monoisotopic Mass: 203.058243149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 290
- 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: 1.6
- Topological Polar Surface Area: 70.2?2
Experimental Properties
- PSA: 70.16
- LogP: 2.06870
3-acetyl-1H-Indole-2-carboxylic acid Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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