Cas no 75400-61-2 (1H-Pyrrole-1-carboxylic acid, 2-acetyl-, 1,1-dimethylethyl ester)
75400-61-2 structure
Product Name:1H-Pyrrole-1-carboxylic acid, 2-acetyl-, 1,1-dimethylethyl ester
CAS No:75400-61-2
MF:C11H15NO3
MW:209.241703271866
CID:539617
PubChem ID:12679452
Update Time:2025-04-19
1H-Pyrrole-1-carboxylic acid, 2-acetyl-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-1-carboxylic acid, 2-acetyl-, 1,1-dimethylethyl ester
- tert-butyl 2-acetylpyrrole-1-carboxylate
- CQQGJQPTVFPJFK-UHFFFAOYSA-N
- DTXSID70506640
- 75400-61-2
- 2-acetyl-1-tert-butoxycarbonylpyrrole
- 2-acetyl-N-(boc)pyrrole
- SCHEMBL3227430
- tert-Butyl 2-acetyl-1H-pyrrole-1-carboxylate
-
- Inchi： 1S/C11H15NO3/c1-8(13)9-6-5-7-12(9)10(14)15-11(2,3)4/h5-7H,1-4H3
- InChI Key： CQQGJQPTVFPJFK-UHFFFAOYSA-N
- SMILES： O(C(N1C=CC=C1C(C)=O)=O)C(C)(C)C
Computed Properties
- Exact Mass: 209.10519334g/mol
- Monoisotopic Mass: 209.10519334g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 268
- 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: 1.9
- Topological Polar Surface Area: 48.3?2
1H-Pyrrole-1-carboxylic acid, 2-acetyl-, 1,1-dimethylethyl ester Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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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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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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