Cas no 65038-94-0 (BENZYL 5-ACETOXYMETHYL-3,4-DIMETHYL-2-PYRROLECARBOXYLATE)
65038-94-0 structure
Product Name:BENZYL 5-ACETOXYMETHYL-3,4-DIMETHYL-2-PYRROLECARBOXYLATE
CAS No:65038-94-0
MF:C17H19NO4
MW:301.337064981461
CID:409443
Update Time:2023-03-29
BENZYL 5-ACETOXYMETHYL-3,4-DIMETHYL-2-PYRROLECARBOXYLATE Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrrole-2-carboxylic acid, 5-[(acetyloxy)methyl]-3,4-dimethyl-,phenylmethyl ester
- BENZYL 5-ACETOXYMETHYL-3,4-DIMETHYL-2-PYRROLECARBOXYLATE
- 1H-Pyrrole-2-carboxylic acid, 5-[(acetyloxy)methyl]-3,4-dimethyl-, phenylmethyl ester
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- Inchi： 1S/C17H19NO4/c1-11-12(2)16(18-15(11)10-21-13(3)19)17(20)22-9-14-7-5-4-6-8-14/h4-8,18H,9-10H2,1-3H3
- InChI Key： BYVBNXJQPYPOQE-UHFFFAOYSA-N
- SMILES： N1C(COC(C)=O)=C(C)C(C)=C1C(OCC1=CC=CC=C1)=O
Computed Properties
- Exact Mass: 301.131
- Monoisotopic Mass: 301.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 7
- Complexity: 392
- 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
BENZYL 5-ACETOXYMETHYL-3,4-DIMETHYL-2-PYRROLECARBOXYLATE Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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