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75985-56-7 | 4-Oxazolidinecarbonitrile, 2-oxo-
CAS No: 75985-56-7 Catalog No: AG005GTF MDL No:
Product Description
Catalog Number:
AG005GTF
Chemical Name:
4-Oxazolidinecarbonitrile, 2-oxo-
CAS Number:
75985-56-7
Molecular Formula:
C4H4N2O2
Molecular Weight:
112.0868
IUPAC Name:
2-oxo-1,3-oxazolidine-4-carbonitrile
InChI:
InChI=1S/C4H4N2O2/c5-1-3-2-8-4(7)6-3/h3H,2H2,(H,6,7)
InChI Key:
LETZBFFXEPHDOU-UHFFFAOYSA-N
SMILES:
C1OC(=O)NC1C#N
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.027g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
112.088g/mol
Monoisotopic Mass:
112.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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