Cas no 820963-25-5 (Benzenepropanenitrile, 2-acetyl-)
820963-25-5 structure
Product Name:Benzenepropanenitrile, 2-acetyl-
CAS No:820963-25-5
MF:C11H11NO
MW:173.211142778397
CID:699378
PubChem ID:71420237
Update Time:2025-04-19
Benzenepropanenitrile, 2-acetyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanenitrile, 2-acetyl-
- 3-(2-acetylphenyl)propanenitrile
- DTXSID10839444
- 820963-25-5
-
- Inchi： 1S/C11H11NO/c1-9(13)11-7-3-2-5-10(11)6-4-8-12/h2-3,5,7H,4,6H2,1H3
- InChI Key： PORVOCWKNHJCHA-UHFFFAOYSA-N
- SMILES： O=C(C)C1C=CC=CC=1CCC#N
Computed Properties
- Exact Mass: 173.084063974g/mol
- Monoisotopic Mass: 173.084063974g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 226
- 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: 40.9?2
Benzenepropanenitrile, 2-acetyl- Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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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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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
820963-25-5 (Benzenepropanenitrile, 2-acetyl-) Related Products
- 53882-91-0(2,4-Dimethyl-b-oxo-benzenepropanenitrile)
- 53882-93-2(Benzenepropanenitrile,2,5-dimethyl-b-oxo-)
- 898787-06-9(2,3-dimethylbenzoylacetonitrile)
- 677713-07-4(Benzenepropanenitrile, 2,6-dimethyl-b-oxo-)
- 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)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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