Cas no 70978-62-0 (Benzonitrile,4-(1-oxopropoxy)-)
70978-62-0 structure
Product Name:Benzonitrile,4-(1-oxopropoxy)-
CAS No:70978-62-0
MF:C10H9NO2
MW:175.183962583542
CID:563179
PubChem ID:643285
Update Time:2025-04-19
Benzonitrile,4-(1-oxopropoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile,4-(1-oxopropoxy)-
- (4-cyanophenyl) propanoate
- 4-(1-oxopropoxy)benzonitrile
- 4-cyanophenyl propanoate
- InChI=1/C10H9NO2/c1-2-10(12)13-9-5-3-8(7-11)4-6-9/h3-6H,2H2,1H
- 4-cyanophenyl propionate
- 70978-62-0
- EINECS 275-080-5
- DTXSID00991282
- SCHEMBL7039270
- benzonitrile, 4-(1-oxopropoxy)-
- FVOSOTJKWPDYBK-UHFFFAOYSA-N
- NS00063031
-
- Inchi： 1S/C10H9NO2/c1-2-10(12)13-9-5-3-8(7-11)4-6-9/h3-6H,2H2,1H3
- InChI Key： FVOSOTJKWPDYBK-UHFFFAOYSA-N
- SMILES： O(C(CC)=O)C1C=CC(C#N)=CC=1
Computed Properties
- Exact Mass: 175.06337
- Monoisotopic Mass: 175.063328530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 220
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1.9
- Topological Polar Surface Area: 50.1?2
Experimental Properties
- PSA: 50.09
Benzonitrile,4-(1-oxopropoxy)- Related Literature
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
-
Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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