2-(1,8-diethyl-6-hydroxy-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid


Chemical Name: 2-(1,8-diethyl-6-hydroxy-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid
CAS Number: 101901-06-8
Product Number: AG0005VR(AGN-PC-000LPX)
Synonyms:
MDL No:
Molecular Formula: C17H21NO4
Molecular Weight: 303.3529

Identification/Properties


Computed Properties
Molecular Weight:
303.358g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
303.147g/mol
Monoisotopic Mass:
303.147g/mol
Topological Polar Surface Area:
82.6A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
429
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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