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86761-70-8 | 2H-1,3-Oxazine-5-carboxaldehyde, 3,6-dihydro-4-phenyl-
CAS No: 86761-70-8 Catalog No: AG004NAX MDL No:
Product Description
Catalog Number:
AG004NAX
Chemical Name:
2H-1,3-Oxazine-5-carboxaldehyde, 3,6-dihydro-4-phenyl-
CAS Number:
86761-70-8
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
IUPAC Name:
4-phenyl-3,6-dihydro-2H-1,3-oxazine-5-carbaldehyde
InChI:
InChI=1S/C11H11NO2/c13-6-10-7-14-8-12-11(10)9-4-2-1-3-5-9/h1-6,12H,7-8H2
InChI Key:
YQNLZMFYGDLSTP-UHFFFAOYSA-N
SMILES:
O=CC1=C(NCOC1)c1ccccc1
Properties
Complexity:
242
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:
1
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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