Cas no 76916-49-9 (1H-Indole-1-propanoic acid methyl ester)
76916-49-9 structure
Product Name:1H-Indole-1-propanoic acid methyl ester
CAS No:76916-49-9
MF:C12H13NO2
MW:203.237123250961
CID:1117440
PubChem ID:5150745
Update Time:2025-04-20
1H-Indole-1-propanoic acid methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-1-propanoic acid methyl ester
- methyl 3-(1H-indol-1-yl)propanoate
- methyl 3-indol-1-ylpropanoate
- 1H-Indole-1-propanoic acid, methyl ester
- 3-Indol-1-yl-propionic acid methyl ester
- 3-Indol-1-yl-propionic acid, methyl ester
- A934712
- methyl 3-(1h-indol-1-yl)propionate
- AKOS009101074
- DTXSID40408829
- FT-0709602
- SCHEMBL2037341
- 76916-49-9
- DA-32902
- HS-7770
-
- Inchi： 1S/C12H13NO2/c1-15-12(14)7-9-13-8-6-10-4-2-3-5-11(10)13/h2-6,8H,7,9H2,1H3
- InChI Key： ILAGLZFPDDPGEI-UHFFFAOYSA-N
- SMILES： O(C)C(CCN1C=CC2C=CC=CC1=2)=O
Computed Properties
- Exact Mass: 203.09469
- Monoisotopic Mass: 203.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- 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: 1.8
- Topological Polar Surface Area: 31.2?2
Experimental Properties
- PSA: 31.23
1H-Indole-1-propanoic acid methyl ester Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
76916-49-9 (1H-Indole-1-propanoic acid methyl ester) Related Products
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