Cas no 64929-85-7 (3-Propoxyprop-2-enenitrile)
3-Propoxyprop-2-enenitrile structure
Product Name:3-Propoxyprop-2-enenitrile
CAS No:64929-85-7
MF:C6H9NO
MW:111.141761541367
CID:2793065
PubChem ID:54024858
Update Time:2025-04-21
3-Propoxyprop-2-enenitrile Chemical and Physical Properties
Names and Identifiers
-
- DTXSID20708475
- 3-PROPOXYPROP-2-ENENITRILE
- 64929-85-7
- 3-Propoxyprop-2-enenitrile
-
- Inchi： 1S/C6H9NO/c1-2-5-8-6-3-4-7/h3,6H,2,5H2,1H3
- InChI Key： LBLTWXAKZNCZLY-UHFFFAOYSA-N
- SMILES： O(C=CC#N)CCC
Computed Properties
- Exact Mass: 111.068413911Da
- Monoisotopic Mass: 111.068413911Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 109
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.1
- Topological Polar Surface Area: 33?2
3-Propoxyprop-2-enenitrile Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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