Phenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid, 8-methoxy-6-nitro-


Chemical Name: Phenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid, 8-methoxy-6-nitro-
CAS Number: 313-67-7
Product Number: AG007JPY(AGN-PC-0JK665)
Synonyms:
MDL No:
Molecular Formula: C17H11NO7
Molecular Weight: 341.2717

Identification/Properties


Computed Properties
Molecular Weight:
341.275g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
2
Exact Mass:
341.054g/mol
Monoisotopic Mass:
341.054g/mol
Topological Polar Surface Area:
111A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
550
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
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:
Danger
UN#:
1544
Hazard Statements:
H301-H311-H331-H341-H350
Precautionary Statements:
P201-P261-P280-P301+P310-P311
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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