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830356-95-1 | 1H-[1,4]Benzodioxino[2,3-d]imidazole(9CI)
CAS No: 830356-95-1 Catalog No: AG0052NX MDL No:
Product Description
Catalog Number:
AG0052NX
Chemical Name:
1H-[1,4]Benzodioxino[2,3-d]imidazole(9CI)
CAS Number:
830356-95-1
Molecular Formula:
C9H6N2O2
Molecular Weight:
174.1561
IUPAC Name:
1H-[1,4]benzodioxino[2,3-d]imidazole
InChI:
InChI=1S/C9H6N2O2/c1-2-4-7-6(3-1)12-8-9(13-7)11-5-10-8/h1-5H,(H,10,11)
InChI Key:
LGIGZOAZLWNKFQ-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)Oc1c(O2)nc[nH]1
Properties
Complexity:
200
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:
1.9
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