Cas no 93340-14-8 (Benzonitrile,2-ethyl-3-formyl-)
93340-14-8 structure
Product Name:Benzonitrile,2-ethyl-3-formyl-
CAS No:93340-14-8
MF:C10H9NO
MW:159.184562444687
CID:801292
PubChem ID:13170192
Update Time:2025-04-19
Benzonitrile,2-ethyl-3-formyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile,2-ethyl-3-formyl-
- Benzonitrile, 2-ethyl-3-formyl- (9CI)
- 2-ethyl-3-formylbenzonitrile
- 93340-14-8
- 2-ethyl-3-formyl-benzonitrile
-
- Inchi： 1S/C10H9NO/c1-2-10-8(6-11)4-3-5-9(10)7-12/h3-5,7H,2H2,1H3
- InChI Key： VARPXINPZZMLRM-UHFFFAOYSA-N
- SMILES： O=CC1C=CC=C(C#N)C=1CC
Computed Properties
- Exact Mass: 159.068413911g/mol
- Monoisotopic Mass: 159.068413911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 203
- 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: 1.9
- Topological Polar Surface Area: 40.9?2
Benzonitrile,2-ethyl-3-formyl- Related Literature
-
Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Veluru Jagadeesh babu,Sesha Vempati RSC Adv., 2015,5, 66367-66375
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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