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87150-13-8 | 4-(1,3-Oxazol-5-yl)benzonitrile
CAS No: 87150-13-8 Catalog No: AG003K5I MDL No:MFCD00084987
Product Description
Catalog Number:
AG003K5I
Chemical Name:
4-(1,3-Oxazol-5-yl)benzonitrile
CAS Number:
87150-13-8
Molecular Formula:
C10H6N2O
Molecular Weight:
170.1674
MDL Number:
MFCD00084987
IUPAC Name:
4-(1,3-oxazol-5-yl)benzonitrile
InChI:
InChI=1S/C10H6N2O/c11-5-8-1-3-9(4-2-8)10-6-12-7-13-10/h1-4,6-7H
InChI Key:
LZMCNLOQTURTHS-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1cnco1
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.048g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.171g/mol
Monoisotopic Mass:
170.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| The pheromone production of female Plodia interpunctella is inhibited by tyraminergic antagonists. | Chemistry & biodiversity 20041101 |
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