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Home > Aldehydes > 102614-19-7
102614-19-7 | 4-Oxazoleacetaldehyde, 4,5-dihydro-2-phenyl-, (S)- (9CI)
CAS No: 102614-19-7 Catalog No: AG0007XU MDL No:
Product Description
Catalog Number:
AG0007XU
Chemical Name:
4-Oxazoleacetaldehyde, 4,5-dihydro-2-phenyl-, (S)- (9CI)
CAS Number:
102614-19-7
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
IUPAC Name:
2-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]acetaldehyde
InChI:
InChI=1S/C11H11NO2/c13-7-6-10-8-14-11(12-10)9-4-2-1-3-5-9/h1-5,7,10H,6,8H2/t10-/m0/s1
InChI Key:
OAUUJUVHIZLNJW-JTQLQIEISA-N
SMILES:
O=CC[C@H]1COC(=N1)c1ccccc1
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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