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888970-25-0 | 1H-[1,3]Dioxino[4',5':5,6]pyrano[2,3-d]imidazole(9CI)
CAS No: 888970-25-0 Catalog No: AG0049OF MDL No:
Product Description
Catalog Number:
AG0049OF
Chemical Name:
1H-[1,3]Dioxino[4',5':5,6]pyrano[2,3-d]imidazole(9CI)
CAS Number:
888970-25-0
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
IUPAC Name:
2,10,12-trioxa-4,6-diazatricyclo[7.4.0.03,7]trideca-1(13),3(7),4,8-tetraene
InChI:
InChI=1S/C8H6N2O3/c1-5-8(10-3-9-5)13-7-2-11-4-12-6(1)7/h1-3H,4H2,(H,9,10)
InChI Key:
DZFBNBMHBUIPSG-UHFFFAOYSA-N
SMILES:
C1OC=c2c(O1)cc1c(o2)nc[nH]1
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.147g/mol
Monoisotopic Mass:
178.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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