Cas no 65961-86-6 ((3,4-dimethoxyphenyl)(oxo)acetonitrile)
65961-86-6 structure
Product Name:(3,4-dimethoxyphenyl)(oxo)acetonitrile
CAS No:65961-86-6
MF:C10H9NO3
MW:191.183362722397
CID:962856
PubChem ID:269435
Update Time:2025-04-19
(3,4-dimethoxyphenyl)(oxo)acetonitrile Chemical and Physical Properties
Names and Identifiers
-
- (3,4-dimethoxyphenyl)(oxo)acetonitrile
- SCHEMBL976684
- NSC-110566
- NSC110566
- 3,4-dimethoxybenzoylcyanide
- DTXSID70984444
- ZUDVDNNIRVQAGO-UHFFFAOYSA-N
- 65961-86-6
- 3,4-dimethoxybenzoyl cyanide
- 3,4-Dimethoxybenzene-1-carbonyl cyanide
-
- Inchi： 1S/C10H9NO3/c1-13-9-4-3-7(8(12)6-11)5-10(9)14-2/h3-5H,1-2H3
- InChI Key： ZUDVDNNIRVQAGO-UHFFFAOYSA-N
- SMILES： O(C)C1C=C(C(C#N)=O)C=CC=1OC
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: 1.7
- Topological Polar Surface Area: 59.3?2
Experimental Properties
- PSA: 59.32
(3,4-dimethoxyphenyl)(oxo)acetonitrile Related Literature
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
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
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
65961-86-6 ((3,4-dimethoxyphenyl)(oxo)acetonitrile) Related Products
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- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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