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88234-89-3 | Spiro[oxirane-2,8'(7'H)-[5H]pyrano[4,3-b]pyridin]-5'-one
CAS No: 88234-89-3 Catalog No: AG004B45 MDL No:
Product Description
Catalog Number:
AG004B45
Chemical Name:
Spiro[oxirane-2,8'(7'H)-[5H]pyrano[4,3-b]pyridin]-5'-one
CAS Number:
88234-89-3
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
IUPAC Name:
spiro[7H-pyrano[4,3-b]pyridine-8,2'-oxirane]-5-one
InChI:
InChI=1S/C9H7NO3/c11-8-6-2-1-3-10-7(6)9(4-12-8)5-13-9/h1-3H,4-5H2
InChI Key:
BKHQNSHIWXIOMF-UHFFFAOYSA-N
SMILES:
O=C1OCC2(c3c1cccn3)OC2
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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