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143704-18-1 | 5H-Pyrano[2,3-b]quinolin-5-one, 2,10-dihydro-2,2-dimethyl-
CAS No: 143704-18-1 Catalog No: AG001I8P MDL No:
Product Description
Catalog Number:
AG001I8P
Chemical Name:
5H-Pyrano[2,3-b]quinolin-5-one, 2,10-dihydro-2,2-dimethyl-
CAS Number:
143704-18-1
Molecular Formula:
C14H13NO2
Molecular Weight:
227.2585
IUPAC Name:
2,2-dimethyl-10H-pyrano[2,3-b]quinolin-5-one
InChI:
InChI=1S/C14H13NO2/c1-14(2)8-7-10-12(16)9-5-3-4-6-11(9)15-13(10)17-14/h3-8H,1-2H3,(H,15,16)
InChI Key:
PEFVTSXSOOLOIT-UHFFFAOYSA-N
SMILES:
O=c1c2C=CC(Oc2[nH]c2c1cccc2)(C)C
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.263g/mol
Monoisotopic Mass:
227.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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