Cas no 67020-08-0 (Butanedioic acid, mono(4-nitrophenyl) ester)
67020-08-0 structure
Product Name:Butanedioic acid, mono(4-nitrophenyl) ester
CAS No:67020-08-0
MF:C10H8NO6
MW:238.173623085022
CID:1713539
PubChem ID:18349461
Update Time:2025-04-21
Butanedioic acid, mono(4-nitrophenyl) ester Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid, mono(4-nitrophenyl) ester
- 4-(4-nitrophenoxy)-4-oxobutanoate
- SCHEMBL3091861
- DTXSID10592986
- 67020-08-0
-
- Inchi： 1S/C10H9NO6/c12-9(13)5-6-10(14)17-8-3-1-7(2-4-8)11(15)16/h1-4H,5-6H2,(H,12,13)/p-1
- InChI Key： DBDJWUJJJAJAJC-UHFFFAOYSA-M
- SMILES： O(C(CCC(=O)[O-])=O)C1C=CC(=CC=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 238.03514
- Monoisotopic Mass: 238.03516197g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 297
- 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: 112?2
Experimental Properties
- PSA: 109.57
Butanedioic acid, mono(4-nitrophenyl) ester Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
67020-08-0 (Butanedioic acid, mono(4-nitrophenyl) ester) Related Products
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