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1824533-02-9 | 2-(2-oxo-1,3-oxazolidin-5-yl)acetonitrile
CAS No: 1824533-02-9 Catalog No: AG01BBQZ MDL No:MFCD24496636
Product Description
Catalog Number:
AG01BBQZ
Chemical Name:
2-(2-oxo-1,3-oxazolidin-5-yl)acetonitrile
CAS Number:
1824533-02-9
Molecular Formula:
C5H6N2O2
Molecular Weight:
126.1133
MDL Number:
MFCD24496636
IUPAC Name:
2-(2-oxo-1,3-oxazolidin-5-yl)acetonitrile
InChI:
InChI=1S/C5H6N2O2/c6-2-1-4-3-7-5(8)9-4/h4H,1,3H2,(H,7,8)
InChI Key:
KDGMWQJAZLQEAC-UHFFFAOYSA-N
SMILES:
C(C#N)C1CNC(=O)O1
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.043g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.115g/mol
Monoisotopic Mass:
126.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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