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898759-91-6 | 2-(4-CYANOBENZOYL)OXAZOLE
CAS No: 898759-91-6 Catalog No: AG00GW3R MDL No:
Product Description
Catalog Number:
AG00GW3R
Chemical Name:
2-(4-CYANOBENZOYL)OXAZOLE
CAS Number:
898759-91-6
IUPAC Name:
4-(1,3-oxazole-2-carbonyl)benzonitrile
InChI:
InChI=1S/C11H6N2O2/c12-7-8-1-3-9(4-2-8)10(14)11-13-5-6-15-11/h1-6H
InChI Key:
IWSOFFYLWJRGKD-UHFFFAOYSA-N
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.043g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.181g/mol
Monoisotopic Mass:
198.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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