Cas no 116130-35-9 (2-Hydroxy-3-methyl-2-butenenitrile)
116130-35-9 structure
Product Name:2-Hydroxy-3-methyl-2-butenenitrile
CAS No:116130-35-9
MF:C5H7NO
MW:97.1151812076569
CID:2014182
PubChem ID:14148809
Update Time:2025-04-21
2-Hydroxy-3-methyl-2-butenenitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-Hydroxy-3-methyl-2-butenenitrile
- acaciberin
- 2-Butenenitrile, 2-hydroxy-3-methyl-
- 116130-35-9
- QNC9Z64Z5B
-
- Inchi： 1S/C5H7NO/c1-4(2)5(7)3-6/h7H,1-2H3
- InChI Key： SEYPSMUGVMMWTC-UHFFFAOYSA-N
- SMILES： O/C(/C#N)=C(\C)/C
Computed Properties
- Exact Mass: 97.052763847g/mol
- Monoisotopic Mass: 97.052763847g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 0
- Complexity: 133
- 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: 1.3
- Topological Polar Surface Area: 44?2
2-Hydroxy-3-methyl-2-butenenitrile Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Connor J. Taylor,Hikaru Seki,Friederike M. Dannheim,Mark J. Willis,Graeme Clemens,Brian A. Taylor,Thomas W. Chamberlain,Richard A. Bourne React. Chem. Eng., 2021,6, 1404-1411
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
116130-35-9 (2-Hydroxy-3-methyl-2-butenenitrile) Related Products
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