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88696-55-3 | 5H-Pyrano[2,3-b]quinolin-5-one, 2,3,4,10-tetrahydro-
CAS No: 88696-55-3 Catalog No: AG0047MV MDL No:
Product Description
Catalog Number:
AG0047MV
Chemical Name:
5H-Pyrano[2,3-b]quinolin-5-one, 2,3,4,10-tetrahydro-
CAS Number:
88696-55-3
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
IUPAC Name:
2,3,4,10-tetrahydropyrano[2,3-b]quinolin-5-one
InChI:
InChI=1S/C12H11NO2/c14-11-8-4-1-2-6-10(8)13-12-9(11)5-3-7-15-12/h1-2,4,6H,3,5,7H2,(H,13,14)
InChI Key:
KRLBJHGJHHCUBF-UHFFFAOYSA-N
SMILES:
O=c1c2CCCOc2[nH]c2c1cccc2
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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