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87903-19-3 | Pyridine, 5-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-1,2-dihydro-2-phenyl-
CAS No: 87903-19-3 Catalog No: AG004FH0 MDL No:
Product Description
Catalog Number:
AG004FH0
Chemical Name:
Pyridine, 5-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-1,2-dihydro-2-phenyl-
CAS Number:
87903-19-3
Molecular Formula:
C16H18N2O
Molecular Weight:
254.3269
IUPAC Name:
4,4-dimethyl-2-(2-phenyl-2H-pyridin-5-ylidene)-1,3-oxazolidine
InChI:
InChI=1S/C16H18N2O/c1-16(2)11-19-15(18-16)13-8-9-14(17-10-13)12-6-4-3-5-7-12/h3-10,14,18H,11H2,1-2H3
InChI Key:
IAJNURBLKMNCPE-UHFFFAOYSA-N
SMILES:
CC1(C)COC(=N1)C1=CNC(C=C1)c1ccccc1
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.333g/mol
Monoisotopic Mass:
254.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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