Cas no 72371-47-2 (2,4-dimethoxybenzoyl Cyanide)
2,4-dimethoxybenzoyl Cyanide structure
Product Name:2,4-dimethoxybenzoyl Cyanide
CAS No:72371-47-2
MF:C10H9NO3
MW:191.183362722397
CID:977100
PubChem ID:314252
Update Time:2025-04-19
2,4-dimethoxybenzoyl Cyanide Chemical and Physical Properties
Names and Identifiers
-
- 2,4-dimethoxybenzoyl Cyanide
- DTXSID10310748
- NSC-231534
- NSC 231534
- 72371-47-2
- NSC231534
- 2,4-Dimethoxybenzene-1-carbonyl cyanide
-
- Inchi： 1S/C10H9NO3/c1-13-7-3-4-8(9(12)6-11)10(5-7)14-2/h3-5H,1-2H3
- InChI Key： AXKKSYFFDBSJND-UHFFFAOYSA-N
- SMILES： O(C)C1C=C(C=CC=1C(C#N)=O)OC
Computed Properties
- Exact Mass: 191.05827
- Monoisotopic Mass: 191.058243149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 255
- 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: 1.5
- Topological Polar Surface Area: 59.3?2
Experimental Properties
- PSA: 59.32
2,4-dimethoxybenzoyl Cyanide 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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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
72371-47-2 (2,4-dimethoxybenzoyl Cyanide) Related Products
- 72371-46-1(2-Methoxybenzoyl cyanide)
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- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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