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35221-98-8 | (5-phenylisoxazol-3-yl)acetonitrile
CAS No: 35221-98-8 Catalog No: AG01ARQ2 MDL No:MFCD11986441
Product Description
Catalog Number:
AG01ARQ2
Chemical Name:
(5-phenylisoxazol-3-yl)acetonitrile
CAS Number:
35221-98-8
Molecular Formula:
C11H8N2O
Molecular Weight:
184.1940
MDL Number:
MFCD11986441
IUPAC Name:
2-(5-phenyl-1,2-oxazol-3-yl)acetonitrile
InChI:
InChI=1S/C11H8N2O/c12-7-6-10-8-11(14-13-10)9-4-2-1-3-5-9/h1-5,8H,6H2
InChI Key:
BICUKMIASXFMGG-UHFFFAOYSA-N
SMILES:
N#CCc1noc(c1)c1ccccc1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.198g/mol
Monoisotopic Mass:
184.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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