Cas no 5433-14-7 (4-O-ethyl 2-O-methyl (5Z)-5-[(hydroxyamino)methylidene]-3-(3-methoxy-3-oxopropyl)pyrrole-2,4-dicarboxylate)
![4-O-ethyl 2-O-methyl (5Z)-5-[(hydroxyamino)methylidene]-3-(3-methoxy-3-oxopropyl)pyrrole-2,4-dicarboxylate structure](https://ossimg.kuujia.com/scimg/5500/5433-14-7x500.png)
5433-14-7 structure
Product Name:4-O-ethyl 2-O-methyl (5Z)-5-[(hydroxyamino)methylidene]-3-(3-methoxy-3-oxopropyl)pyrrole-2,4-dicarboxylate
CAS No:5433-14-7
MF:C14H18N2O7
MW:326.301924228668
CID:940716
PubChem ID:135415743
Update Time:2025-04-19
4-O-ethyl 2-O-methyl (5Z)-5-[(hydroxyamino)methylidene]-3-(3-methoxy-3-oxopropyl)pyrrole-2,4-dicarboxylate Chemical and Physical Properties
Names and Identifiers
-
- 4-O-ethyl 2-O-methyl (5Z)-5-[(hydroxyamino)methylidene]-3-(3-methoxy-3-oxopropyl)pyrrole-2,4-dicarboxylate
- NSC29225
- NSC-29225
- DTXSID40417916
- 5433-14-7
-
- Inchi： 1S/C14H18N2O7/c1-4-23-13(18)11-8(5-6-10(17)21-2)12(14(19)22-3)16-9(11)7-15-20/h7,16,20H,4-6H2,1-3H3
- InChI Key： OTZSQRRVRKNKIZ-UHFFFAOYSA-N
- SMILES： O(CC)C(C1=C(C=NO)NC(C(=O)OC)=C1CCC(=O)OC)=O
Computed Properties
- Exact Mass: 326.11100
- Monoisotopic Mass: 326.111
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 23
- Rotatable Bond Count: 10
- Complexity: 590
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 124A^2
- XLogP3: 1.3
Experimental Properties
- Density: 1.33
- Boiling Point: 427.3°C at 760 mmHg
- Flash Point: 212.2°C
- Refractive Index: 1.546
- PSA: 127.28000
- LogP: 0.89170
4-O-ethyl 2-O-methyl (5Z)-5-[(hydroxyamino)methylidene]-3-(3-methoxy-3-oxopropyl)pyrrole-2,4-dicarboxylate Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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