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89150-03-8 | 5-Oxazolepropanenitrile, 4-phenyl-
CAS No: 89150-03-8 Catalog No: AG003WT0 MDL No:
Product Description
Catalog Number:
AG003WT0
Chemical Name:
5-Oxazolepropanenitrile, 4-phenyl-
CAS Number:
89150-03-8
Molecular Formula:
C12H10N2O
Molecular Weight:
198.2206
IUPAC Name:
3-(4-phenyl-1,3-oxazol-5-yl)propanenitrile
InChI:
InChI=1S/C12H10N2O/c13-8-4-7-11-12(14-9-15-11)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7H2
InChI Key:
FEULTNHBSPJOSP-UHFFFAOYSA-N
SMILES:
N#CCCc1ocnc1c1ccccc1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.225g/mol
Monoisotopic Mass:
198.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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