Cas no 88194-04-1 (1,3-Benzenedicarboxylic acid, 5-(2-butenylamino)-)
88194-04-1 structure
Product Name:1,3-Benzenedicarboxylic acid, 5-(2-butenylamino)-
CAS No:88194-04-1
MF:C12H13NO4
MW:235.235923528671
CID:641529
PubChem ID:71410111
Update Time:2025-04-19
1,3-Benzenedicarboxylic acid, 5-(2-butenylamino)- Chemical and Physical Properties
Names and Identifiers
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- 1,3-Benzenedicarboxylic acid, 5-(2-butenylamino)-
- 5-(but-2-enylamino)benzene-1,3-dicarboxylic acid
- 88194-04-1
- 5-[(But-2-en-1-yl)amino]benzene-1,3-dicarboxylic acid
- DTXSID70829806
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- Inchi: 1S/C12H13NO4/c1-2-3-4-13-10-6-8(11(14)15)5-9(7-10)12(16)17/h2-3,5-7,13H,4H2,1H3,(H,14,15)(H,16,17)
- InChI Key: DWYUISKXRGAPCS-UHFFFAOYSA-N
- SMILES: OC(C1C=C(C(=O)O)C=C(C=1)NCC=CC)=O
Computed Properties
- Exact Mass: 235.08445790g/mol
- Monoisotopic Mass: 235.08445790g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 292
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.8
- Topological Polar Surface Area: 86.6?2
1,3-Benzenedicarboxylic acid, 5-(2-butenylamino)- Related Literature
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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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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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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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