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89764-16-9 | Pyridine, 3-[5-(7-methoxy-1,3-benzodioxol-5-yl)-2-oxazolyl]-
CAS No: 89764-16-9 Catalog No: AG00878J MDL No:
Product Description
Catalog Number:
AG00878J
Chemical Name:
Pyridine, 3-[5-(7-methoxy-1,3-benzodioxol-5-yl)-2-oxazolyl]-
CAS Number:
89764-16-9
Molecular Formula:
C16H12N2O4
Molecular Weight:
296.2775
IUPAC Name:
5-(7-methoxy-1,3-benzodioxol-5-yl)-2-pyridin-3-yl-1,3-oxazole
InChI:
InChI=1S/C16H12N2O4/c1-19-12-5-11(6-13-15(12)21-9-20-13)14-8-18-16(22-14)10-3-2-4-17-7-10/h2-8H,9H2,1H3
InChI Key:
DVMWPCNJMMDIPT-UHFFFAOYSA-N
SMILES:
COc1cc(cc2c1OCO2)c1cnc(o1)c1cccnc1
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.08g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.282g/mol
Monoisotopic Mass:
296.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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