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1203499-67-5

1203499-67-5 | 1-(4-Methoxybenzyl)-2-oxo-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-6-carbonitrile

CAS No: 1203499-67-5 Catalog No: AG00HFEX MDL No:MFCD13176670

Product Description

Catalog Number:
AG00HFEX
Chemical Name:
1-(4-Methoxybenzyl)-2-oxo-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-6-carbonitrile
CAS Number:
1203499-67-5
Molecular Formula:
C16H13N3O3
Molecular Weight:
295.2927
MDL Number:
MFCD13176670
IUPAC Name:
1-[(4-methoxyphenyl)methyl]-2-oxopyrido[2,3-b][1,4]oxazine-6-carbonitrile
InChI:
InChI=1S/C16H13N3O3/c1-21-13-5-2-11(3-6-13)9-19-14-7-4-12(8-17)18-16(14)22-10-15(19)20/h2-7H,9-10H2,1H3
InChI Key:
QOJIKPNQZBUFPH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CN1C(=O)COc2c1ccc(n2)C#N

Properties

Complexity:
453  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.096g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.298g/mol
Monoisotopic Mass:
295.096g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

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