Cas no 88194-01-8 (1,3-Benzenedicarboxylic acid, 5-(2-propenylamino)-)
88194-01-8 structure
Product Name:1,3-Benzenedicarboxylic acid, 5-(2-propenylamino)-
CAS No:88194-01-8
MF:C11H11NO4
MW:221.209343194962
CID:641532
PubChem ID:71410114
Update Time:2025-04-19
1,3-Benzenedicarboxylic acid, 5-(2-propenylamino)- Chemical and Physical Properties
Names and Identifiers
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- 1,3-Benzenedicarboxylic acid, 5-(2-propenylamino)-
- 5-(prop-2-enylamino)benzene-1,3-dicarboxylic acid
- 5-[(Prop-2-en-1-yl)amino]benzene-1,3-dicarboxylic acid
- 88194-01-8
- DTXSID50829809
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- Inchi： 1S/C11H11NO4/c1-2-3-12-9-5-7(10(13)14)4-8(6-9)11(15)16/h2,4-6,12H,1,3H2,(H,13,14)(H,15,16)
- InChI Key： CQYGKJLYRNHFBG-UHFFFAOYSA-N
- SMILES： OC(C1C=C(C(=O)O)C=C(C=1)NCC=C)=O
Computed Properties
- Exact Mass: 221.06880783g/mol
- Monoisotopic Mass: 221.06880783g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- 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: 1.6
- Topological Polar Surface Area: 86.6?2
1,3-Benzenedicarboxylic acid, 5-(2-propenylamino)- Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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