2-[(2S)-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl]ethanol


Chemical Name: 2-[(2S)-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl]ethanol
CAS Number: 16111-07-2
Product Number: AG0032A9(AGN-PC-0K0J5O)
Synonyms:
MDL No:
Molecular Formula: C20H20N2O4
Molecular Weight: 352.3838

Identification/Properties


Properties
MP:
164-165 °C
BP:
540.3°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
352.39g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
352.142g/mol
Monoisotopic Mass:
352.142g/mol
Topological Polar Surface Area:
78.5A^2
Heavy Atom Count:
26
Formal Charge:
0
Complexity:
587
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:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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