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114535-43-2 | 1H-[1,4]Dioxino[2,3-e]benzimidazole (9CI)
CAS No: 114535-43-2 Catalog No: AG000ENO MDL No:
Product Description
Catalog Number:
AG000ENO
Chemical Name:
1H-[1,4]Dioxino[2,3-e]benzimidazole (9CI)
CAS Number:
114535-43-2
Molecular Formula:
C9H6N2O2
Molecular Weight:
174.1561
IUPAC Name:
3H-[1,4]dioxino[2,3-e]benzimidazole
InChI:
InChI=1S/C9H6N2O2/c1-2-7-9(13-4-3-12-7)8-6(1)10-5-11-8/h1-5H,(H,10,11)
InChI Key:
SLDFOURMKCIXTG-UHFFFAOYSA-N
SMILES:
O1C=COc2c1c1[nH]cnc1cc2
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.159g/mol
Monoisotopic Mass:
174.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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