Cas no 954-92-7 (1H-Pyrrole-2-carboxylic acid, 3,4-dimethyl-, phenylmethyl ester)
954-92-7 structure
Product Name:1H-Pyrrole-2-carboxylic acid, 3,4-dimethyl-, phenylmethyl ester
CAS No:954-92-7
MF:C14H15NO2
MW:229.274403810501
CID:751801
PubChem ID:3459191
Update Time:2025-04-19
1H-Pyrrole-2-carboxylic acid, 3,4-dimethyl-, phenylmethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-2-carboxylic acid, 3,4-dimethyl-, phenylmethyl ester
- benzyl 3,4-dimethyl-1H-pyrrole-2-carboxylate
- SCHEMBL12031672
- DTXSID10392685
- 954-92-7
- AKOS024406436
-
- Inchi： 1S/C14H15NO2/c1-10-8-15-13(11(10)2)14(16)17-9-12-6-4-3-5-7-12/h3-8,15H,9H2,1-2H3
- InChI Key： JVVPVNRWUFOIEO-UHFFFAOYSA-N
- SMILES： O(CC1C=CC=CC=1)C(C1=C(C)C(C)=CN1)=O
Computed Properties
- Exact Mass: 229.110278721g/mol
- Monoisotopic Mass: 229.110278721g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 261
- 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: 3.1
- Topological Polar Surface Area: 42.1?2
1H-Pyrrole-2-carboxylic acid, 3,4-dimethyl-, phenylmethyl ester Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
954-92-7 (1H-Pyrrole-2-carboxylic acid, 3,4-dimethyl-, phenylmethyl ester) Related Products
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