Cas no 177326-54-4 (4-(hydroxymethyl)-3-methyl-1H-Indole-2-carboxylic acid)
177326-54-4 structure
Product Name:4-(hydroxymethyl)-3-methyl-1H-Indole-2-carboxylic acid
CAS No:177326-54-4
MF:C11H11NO3
MW:205.209943056107
CID:1107877
PubChem ID:10878285
Update Time:2025-04-20
4-(hydroxymethyl)-3-methyl-1H-Indole-2-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-(hydroxymethyl)-3-methyl-1H-Indole-2-carboxylic acid
- 177326-54-4
- 4-hydroxymethyl-3-methylindole-2-carboxylic acid
- Q27463891
-
- Inchi： 1S/C11H11NO3/c1-6-9-7(5-13)3-2-4-8(9)12-10(6)11(14)15/h2-4,12-13H,5H2,1H3,(H,14,15)
- InChI Key： BSECKLZXEJBFRE-UHFFFAOYSA-N
- SMILES： OCC1=CC=CC2=C1C(C)=C(C(=O)O)N2
Computed Properties
- Exact Mass: 205.07389321g/mol
- Monoisotopic Mass: 205.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 256
- 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: 1.4
- Topological Polar Surface Area: 73.3?2
4-(hydroxymethyl)-3-methyl-1H-Indole-2-carboxylic acid Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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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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