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


Chemical Name: methyl 2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetate
CAS Number: 122188-02-7
Product Number: AG0016WQ(AGN-PC-0JSDE2)
Synonyms:
MDL No:
Molecular Formula: C18H23NO3
Molecular Weight: 301.3801

Identification/Properties


Computed Properties
Molecular Weight:
301.386g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
301.168g/mol
Monoisotopic Mass:
301.168g/mol
Topological Polar Surface Area:
51.3A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
413
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


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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