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14397-33-2 | Isoxazole, 4,5-dihydro-3-phenyl-
CAS No: 14397-33-2 Catalog No: AG001IOQ MDL No:
Product Description
Catalog Number:
AG001IOQ
Chemical Name:
Isoxazole, 4,5-dihydro-3-phenyl-
CAS Number:
14397-33-2
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
IUPAC Name:
3-phenyl-4,5-dihydro-1,2-oxazole
InChI:
InChI=1S/C9H9NO/c1-2-4-8(5-3-1)9-6-7-11-10-9/h1-5H,6-7H2
InChI Key:
UKFPAGCSDWQXFT-UHFFFAOYSA-N
SMILES:
C1ON=C(C1)c1ccccc1
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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