Cas no 251107-42-3 (1H-Indole-5-carboxylic acid, 4-methoxy-)
251107-42-3 structure
Product Name:1H-Indole-5-carboxylic acid, 4-methoxy-
CAS No:251107-42-3
MF:C10H9NO3
MW:191.183362722397
CID:1421142
PubChem ID:18504959
Update Time:2025-04-20
1H-Indole-5-carboxylic acid, 4-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-5-carboxylic acid, 4-methoxy-
- DB-118036
- 4-methoxy-1H-Indole-5-carboxylic acid
- SCHEMBL5374358
- DTXSID301288420
- 251107-42-3
-
- Inchi： 1S/C10H9NO3/c1-14-9-6-4-5-11-8(6)3-2-7(9)10(12)13/h2-5,11H,1H3,(H,12,13)
- InChI Key： SZFUDSAHHREDFB-UHFFFAOYSA-N
- SMILES： O(C)C1=C(C(=O)O)C=CC2=C1C=CN2
Computed Properties
- Exact Mass: 191.05827
- Monoisotopic Mass: 191.058243149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 231
- 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: 1.5
- Topological Polar Surface Area: 62.3?2
Experimental Properties
- PSA: 62.32
1H-Indole-5-carboxylic acid, 4-methoxy- Related Literature
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
251107-42-3 (1H-Indole-5-carboxylic acid, 4-methoxy-) Related Products
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