Cas no 97420-36-5 (1H-Benzimidazole-1-acetic acid, 2-methyl-, ethyl ester)
97420-36-5 structure
Product Name:1H-Benzimidazole-1-acetic acid, 2-methyl-, ethyl ester
CAS No:97420-36-5
MF:C12H14N2O2
MW:218.251762866974
CID:751062
PubChem ID:761836
Update Time:2025-04-19
1H-Benzimidazole-1-acetic acid, 2-methyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole-1-acetic acid, 2-methyl-, ethyl ester
- ethyl 2-(2-methylbenzimidazol-1-yl)acetate
- CHEMBL1439539
- SCHEMBL16421959
- HMS2300G03
- AKOS000650140
- SR-01000439032-1
- SMR000105561
- SR-01000439032
- MLS000109621
- 97420-36-5
- DTXSID80354013
- ethyl (2-methyl-1H-benzimidazol-1-yl)acetate
- CCG-107155
-
- Inchi： 1S/C12H14N2O2/c1-3-16-12(15)8-14-9(2)13-10-6-4-5-7-11(10)14/h4-7H,3,8H2,1-2H3
- InChI Key： CZOUBDOPPXEOKN-UHFFFAOYSA-N
- SMILES： O(CC)C(CN1C(C)=NC2C=CC=CC1=2)=O
Computed Properties
- Exact Mass: 218.105527694g/mol
- Monoisotopic Mass: 218.105527694g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 257
- 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: 2.2
- Topological Polar Surface Area: 44.1?2
1H-Benzimidazole-1-acetic acid, 2-methyl-, ethyl ester Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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