methyl 2-[(1S)-1,8-diethyl-4-oxo-9H-pyrano[3,4-b]indol-1-yl]acetate


Chemical Name: methyl 2-[(1S)-1,8-diethyl-4-oxo-9H-pyrano[3,4-b]indol-1-yl]acetate
CAS Number: 111478-84-3
Product Number: AG0082A2(AGN-PC-05J31Y)
Synonyms:
MDL No:
Molecular Formula: C18H21NO4
Molecular Weight: 315.3636

Identification/Properties


Computed Properties
Molecular Weight:
315.369g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
315.147g/mol
Monoisotopic Mass:
315.147g/mol
Topological Polar Surface Area:
68.4A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
480
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


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