Cas no 89909-50-2 (1H-Pyrrole-2-carboxylic acid, 4-formyl-5-methyl-, phenylmethyl ester)
89909-50-2 structure
Product Name:1H-Pyrrole-2-carboxylic acid, 4-formyl-5-methyl-, phenylmethyl ester
CAS No:89909-50-2
MF:C14H13NO3
MW:243.257923841476
CID:585441
PubChem ID:71326852
Update Time:2025-04-19
1H-Pyrrole-2-carboxylic acid, 4-formyl-5-methyl-, phenylmethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-2-carboxylic acid, 4-formyl-5-methyl-, phenylmethyl ester
- benzyl 4-formyl-5-methyl-1H-pyrrole-2-carboxylate
- 89909-50-2
- DTXSID60755983
-
- Inchi： 1S/C14H13NO3/c1-10-12(8-16)7-13(15-10)14(17)18-9-11-5-3-2-4-6-11/h2-8,15H,9H2,1H3
- InChI Key： PDMKGAROQSFMPD-UHFFFAOYSA-N
- SMILES： O(C(C1=CC(C=O)=C(C)N1)=O)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 243.08954328g/mol
- Monoisotopic Mass: 243.08954328g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 299
- 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: 2.3
- Topological Polar Surface Area: 59.2?2
1H-Pyrrole-2-carboxylic acid, 4-formyl-5-methyl-, phenylmethyl ester Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
89909-50-2 (1H-Pyrrole-2-carboxylic acid, 4-formyl-5-methyl-, phenylmethyl ester) Related Products
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