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104399-60-2 | 4H-1,3-Dioxolo[4,5-e]benzimidazole(9CI)
CAS No: 104399-60-2 Catalog No: AG00860X MDL No:
Product Description
Catalog Number:
AG00860X
Chemical Name:
4H-1,3-Dioxolo[4,5-e]benzimidazole(9CI)
CAS Number:
104399-60-2
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
IUPAC Name:
4H-[1,3]dioxolo[4,5-e]benzimidazole
InChI:
InChI=1S/C8H6N2O2/c1-2-6-8(12-4-11-6)7-5(1)9-3-10-7/h1,3H,2,4H2
InChI Key:
FDKPHAHDXGUXGB-UHFFFAOYSA-N
SMILES:
C1OC2=C(O1)C1=NC=NC1=CC2
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.148g/mol
Monoisotopic Mass:
162.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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