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918785-23-6 | 1H-Pyrano[2,3-c]quinolin-5(6H)-one, 6-ethyl-2,3-dihydro-2-iodo-
CAS No: 918785-23-6 Catalog No: AG006NU3 MDL No:
Product Description
Catalog Number:
AG006NU3
Chemical Name:
1H-Pyrano[2,3-c]quinolin-5(6H)-one, 6-ethyl-2,3-dihydro-2-iodo-
CAS Number:
918785-23-6
Molecular Formula:
C14H14INO2
Molecular Weight:
355.1709
IUPAC Name:
6-ethyl-2-iodo-2,3-dihydro-1H-pyrano[2,3-c]quinolin-5-one
InChI:
InChI=1S/C14H14INO2/c1-2-16-12-6-4-3-5-10(12)11-7-9(15)8-18-13(11)14(16)17/h3-6,9H,2,7-8H2,1H3
InChI Key:
QROCCXBGSDXMSA-UHFFFAOYSA-N
SMILES:
CCn1c(=O)c2OCC(Cc2c2c1cccc2)I
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.007g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.175g/mol
Monoisotopic Mass:
355.007g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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