Cas no 22071-33-6 (Benzeneacetonitrile,3-benzoyl-2-methoxy-)
22071-33-6 structure
Product Name:Benzeneacetonitrile,3-benzoyl-2-methoxy-
CAS No:22071-33-6
MF:C16H13NO2
MW:251.279924154282
CID:271511
PubChem ID:89588
Update Time:2025-04-19
Benzeneacetonitrile,3-benzoyl-2-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetonitrile,3-benzoyl-2-methoxy-
- (3-Benzoyl-2-methoxyphenyl)acetonitrile
- 2-(3-benzoyl-2-methoxyphenyl)acetonitrile
- EINECS 244-764-5
- 2-[3-(benzoyl)-2-methoxyphenyl]acetonitrile
- NS00027046
- 22071-33-6
- DTXSID90176566
- SCHEMBL9427493
-
- Inchi： 1S/C16H13NO2/c1-19-16-13(10-11-17)8-5-9-14(16)15(18)12-6-3-2-4-7-12/h2-9H,10H2,1H3
- InChI Key： MIJYFLXOJQTGHU-UHFFFAOYSA-N
- SMILES： O(C)C1C(CC#N)=CC=CC=1C(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 251.09469
- Monoisotopic Mass: 251.094629
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 351
- 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
- Topological Polar Surface Area: 50.1
- XLogP3: 2.9
Experimental Properties
- Density: 1.153
- Boiling Point: 463.5°Cat760mmHg
- Flash Point: 201.9°C
- Refractive Index: 1.577
- PSA: 50.09
Benzeneacetonitrile,3-benzoyl-2-methoxy- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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