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89479-70-9 | 4-Isoxazolecarboxaldehyde, 4,5-dihydro-3,5-diphenyl-, trans-
CAS No: 89479-70-9 Catalog No: AG0042EA MDL No:
Product Description
Catalog Number:
AG0042EA
Chemical Name:
4-Isoxazolecarboxaldehyde, 4,5-dihydro-3,5-diphenyl-, trans-
CAS Number:
89479-70-9
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
IUPAC Name:
3,5-diphenyl-4,5-dihydro-1,2-oxazole-4-carbaldehyde
InChI:
InChI=1S/C16H13NO2/c18-11-14-15(12-7-3-1-4-8-12)17-19-16(14)13-9-5-2-6-10-13/h1-11,14,16H
InChI Key:
DZZFJEOFYVXIDI-UHFFFAOYSA-N
SMILES:
O=C[C@H]1[C@@H](ON=C1c1ccccc1)c1ccccc1
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.285g/mol
Monoisotopic Mass:
251.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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