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75985-55-6 | 4-Oxazolidinecarbonitrile, 2-oxo-3-(phenylmethyl)-
CAS No: 75985-55-6 Catalog No: AG005GTG MDL No:
Product Description
Catalog Number:
AG005GTG
Chemical Name:
4-Oxazolidinecarbonitrile, 2-oxo-3-(phenylmethyl)-
CAS Number:
75985-55-6
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
IUPAC Name:
3-benzyl-2-oxo-1,3-oxazolidine-4-carbonitrile
InChI:
InChI=1S/C11H10N2O2/c12-6-10-8-15-11(14)13(10)7-9-4-2-1-3-5-9/h1-5,10H,7-8H2
InChI Key:
TZCQVYWAYRZFNJ-UHFFFAOYSA-N
SMILES:
N#CC1COC(=O)N1Cc1ccccc1
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.213g/mol
Monoisotopic Mass:
202.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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