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830357-28-3 | 1H,5H-Cyclopenta[5,6][1,4]dioxino[2,3-d]imidazole(9CI)
CAS No: 830357-28-3 Catalog No: AG008K4F MDL No:MFCD17017798
Product Description
Catalog Number:
AG008K4F
Chemical Name:
1H,5H-Cyclopenta[5,6][1,4]dioxino[2,3-d]imidazole(9CI)
CAS Number:
830357-28-3
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD17017798
IUPAC Name:
2,8-dioxa-4,6-diazatricyclo[7.3.0.03,7]dodeca-1(9),3(7),4,11-tetraene
InChI:
InChI=1S/C8H6N2O2/c1-2-5-6(3-1)12-8-7(11-5)9-4-10-8/h1-2,4H,3H2,(H,9,10)
InChI Key:
VQQZPXXJMHFOKT-UHFFFAOYSA-N
SMILES:
C1=CC2=C(C1)Oc1c(O2)[nH]cn1
Properties
Complexity:
272
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:
1
Isotope Atom Count:
0
Molecular Weight:
162.148g/mol
Monoisotopic Mass:
162.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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