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89479-65-2 | 4-Isoxazolecarboxaldehyde, 4,5-dihydro-3-methyl-5-phenyl-, trans-
CAS No: 89479-65-2 Catalog No: AG0087RZ MDL No:
Product Description
Catalog Number:
AG0087RZ
Chemical Name:
4-Isoxazolecarboxaldehyde, 4,5-dihydro-3-methyl-5-phenyl-, trans-
CAS Number:
89479-65-2
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
IUPAC Name:
3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-4-carbaldehyde
InChI:
InChI=1S/C11H11NO2/c1-8-10(7-13)11(14-12-8)9-5-3-2-4-6-9/h2-7,10-11H,1H3
InChI Key:
ZQYULIXQISCKLV-UHFFFAOYSA-N
SMILES:
O=C[C@@H]1C(=NO[C@H]1c1ccccc1)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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