Cas no 1884-59-9 (1H-Indole-1-butanoic acid)
1H-Indole-1-butanoic acid structure
Product Name:1H-Indole-1-butanoic acid
CAS No:1884-59-9
MF:C12H13NO2
MW:203.237123250961
CID:1108276
PubChem ID:10241973
Update Time:2025-04-20
1H-Indole-1-butanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-1-butanoic acid
- 4-(1H-Indol-1-yl)butanoic acid
- MQLJZFAKVWTELE-UHFFFAOYSA-N
- 1-(3-carboxypropyl)indole
- 1884-59-9
- BAA88459
- SCHEMBL1967792
- AKOS000261660
- indole-1-butyric acid
-
- MDL： MFCD00835034
- Inchi： 1S/C12H13NO2/c14-12(15)6-3-8-13-9-7-10-4-1-2-5-11(10)13/h1-2,4-5,7,9H,3,6,8H2,(H,14,15)
- InChI Key： MQLJZFAKVWTELE-UHFFFAOYSA-N
- SMILES： OC(CCCN1C=CC2C=CC=CC1=2)=O
Computed Properties
- Exact Mass: 203.094628657g/mol
- Monoisotopic Mass: 203.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 230
- 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: 2.5
- Topological Polar Surface Area: 42.2?2
1H-Indole-1-butanoic acid Related Literature
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
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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