Cas no 213178-16-6 (2-Furancarboxaldehyde, 5-methyl-3-nitro- (9CI))
213178-16-6 structure
Product Name:2-Furancarboxaldehyde, 5-methyl-3-nitro- (9CI)
CAS No:213178-16-6
MF:C6H5NO4
MW:155.108201742172
CID:1018851
PubChem ID:642122
Update Time:2025-04-20
2-Furancarboxaldehyde, 5-methyl-3-nitro- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Furancarboxaldehyde, 5-methyl-3-nitro- (9CI)
- DB-281537
- 5-methyl-3-nitro-2-furaldehyde
- 5-methyl-3-nitrofuran-2-carbaldehyde
- 213178-16-6
- InChI=1/C6H5NO4/c1-4-2-5(7(9)10)6(3-8)11-4/h2-3H,1H
- 2-furancarboxaldehyde, 5-methyl-3-nitro-
-
- Inchi： 1S/C6H5NO4/c1-4-2-5(7(9)10)6(3-8)11-4/h2-3H,1H3
- InChI Key： BQWXUQOVTVWAKB-UHFFFAOYSA-N
- SMILES： O1C(C=O)=C(C=C1C)[N+](=O)[O-]
Computed Properties
- Exact Mass: 155.02185764g/mol
- Monoisotopic Mass: 155.02185764g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 176
- 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
- Topological Polar Surface Area: 76?2
2-Furancarboxaldehyde, 5-methyl-3-nitro- (9CI) Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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