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118635-52-2 | 5H-[1]Benzopyrano[2,3-b]pyridine-7-acetic acid, α,2-dimethyl-, 2-(dimethylamino)-2-oxoethyl ester
CAS No: 118635-52-2 Catalog No: AG001QGZ MDL No:
Product Description
Catalog Number:
AG001QGZ
Chemical Name:
5H-[1]Benzopyrano[2,3-b]pyridine-7-acetic acid, α,2-dimethyl-, 2-(dimethylamino)-2-oxoethyl ester
CAS Number:
118635-52-2
Molecular Formula:
C20H22N2O4
Molecular Weight:
354.3997
IUPAC Name:
[2-(dimethylamino)-2-oxoethyl] 2-(2-methyl-5H-chromeno[2,3-b]pyridin-7-yl)propanoate
InChI:
InChI=1S/C20H22N2O4/c1-12-5-6-15-10-16-9-14(7-8-17(16)26-19(15)21-12)13(2)20(24)25-11-18(23)22(3)4/h5-9,13H,10-11H2,1-4H3
InChI Key:
ZAKRMJAETCUYKK-UHFFFAOYSA-N
SMILES:
O=C(C(c1ccc2c(c1)Cc1c(O2)nc(cc1)C)C)OCC(=O)N(C)C
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.158g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.406g/mol
Monoisotopic Mass:
354.158g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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