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78715-84-1 | 4-Oxazolecarboxaldehyde, 4,5-dihydro-2-phenyl-, (S)-
CAS No: 78715-84-1 Catalog No: AG0058IQ MDL No:
Product Description
Catalog Number:
AG0058IQ
Chemical Name:
4-Oxazolecarboxaldehyde, 4,5-dihydro-2-phenyl-, (S)-
CAS Number:
78715-84-1
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
IUPAC Name:
(4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carbaldehyde
InChI:
InChI=1S/C10H9NO2/c12-6-9-7-13-10(11-9)8-4-2-1-3-5-8/h1-6,9H,7H2/t9-/m1/s1
InChI Key:
TYKIROLHVMZXNY-SECBINFHSA-N
SMILES:
O=C[C@@H]1COC(=N1)c1ccccc1
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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