Cas no 88194-09-6 (1,3-Benzenedicarboxylic acid, 5-[(1-methyl-2-propenyl)amino]-)
![1,3-Benzenedicarboxylic acid, 5-[(1-methyl-2-propenyl)amino]- structure](https://ossimg.kuujia.com/scimg/88500/88194-09-6x500.png)
88194-09-6 structure
Product Name:1,3-Benzenedicarboxylic acid, 5-[(1-methyl-2-propenyl)amino]-
CAS No:88194-09-6
MF:C12H13NO4
MW:235.235923528671
CID:641524
PubChem ID:71410106
Update Time:2025-04-19
1,3-Benzenedicarboxylic acid, 5-[(1-methyl-2-propenyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarboxylic acid, 5-[(1-methyl-2-propenyl)amino]-
- 5-(but-3-en-2-ylamino)benzene-1,3-dicarboxylic acid
- 88194-09-6
- DTXSID70829801
- 5-[(But-3-en-2-yl)amino]benzene-1,3-dicarboxylic acid
-
- Inchi： 1S/C12H13NO4/c1-3-7(2)13-10-5-8(11(14)15)4-9(6-10)12(16)17/h3-7,13H,1H2,2H3,(H,14,15)(H,16,17)
- InChI Key： IPMPAIMYMUSZGK-UHFFFAOYSA-N
- SMILES： OC(C1C=C(C(=O)O)C=C(C=1)NC(C=C)C)=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: 294
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 86.6?2
1,3-Benzenedicarboxylic acid, 5-[(1-methyl-2-propenyl)amino]- Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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