Cas no 59435-08-4 (1H-Pyrrole-2-carboxylic acid, 5-formyl-3,4-dimethyl-, phenylmethyl ester)
59435-08-4 structure
Product Name:1H-Pyrrole-2-carboxylic acid, 5-formyl-3,4-dimethyl-, phenylmethyl ester
CAS No:59435-08-4
MF:C15H15NO3
MW:257.284504175186
CID:338665
PubChem ID:10923177
Update Time:2025-04-19
1H-Pyrrole-2-carboxylic acid, 5-formyl-3,4-dimethyl-, phenylmethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-2-carboxylic acid, 5-formyl-3,4-dimethyl-, phenylmethyl ester
- benzyl 5-formyl-3,4-dimethyl-1H-pyrrole-2-carboxylate
- SCHEMBL7256490
- BDBM50486979
- DTXSID00448504
- 59435-08-4
- PYR-5084
- CHEMBL296835
-
- Inchi: 1S/C15H15NO3/c1-10-11(2)14(16-13(10)8-17)15(18)19-9-12-6-4-3-5-7-12/h3-8,16H,9H2,1-2H3
- InChI Key: UOKPIJWFKFLVMD-UHFFFAOYSA-N
- SMILES: O(CC1C=CC=CC=1)C(C1=C(C)C(C)=C(C=O)N1)=O
Computed Properties
- Exact Mass: 257.10525
- Monoisotopic Mass: 257.10519334g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 325
- 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: 2.9
- Topological Polar Surface Area: 59.2?2
Experimental Properties
- Color/Form: Solid powder
- PSA: 59.16
1H-Pyrrole-2-carboxylic acid, 5-formyl-3,4-dimethyl-, phenylmethyl ester Security Information
- Signal Word:Warning
- Storage Condition:Dry, dark and store at 0-4℃ for short term (days to weeks) or -20℃ for long term (Store correctly 2-3years).
1H-Pyrrole-2-carboxylic acid, 5-formyl-3,4-dimethyl-, phenylmethyl ester Related Literature
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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3. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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