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29598-52-5 | 4,11-Epoxy-1H-pyrrolo[3,4-b]phenazine-1,3(2H)-dione
CAS No: 29598-52-5 Catalog No: AG002YUC MDL No:
Product Description
Catalog Number:
AG002YUC
Chemical Name:
4,11-Epoxy-1H-pyrrolo[3,4-b]phenazine-1,3(2H)-dione
CAS Number:
29598-52-5
Molecular Formula:
C14H5N3O3
Molecular Weight:
263.2078
IUPAC Name:
18-oxa-3,10,15-triazapentacyclo[10.5.1.02,11.04,9.013,17]octadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
InChI:
InChI=1S/C14H5N3O3/c18-13-7-8(14(19)17-13)12-10-9(11(7)20-12)15-5-3-1-2-4-6(5)16-10/h1-4H,(H,17,18,19)
InChI Key:
DSKLSOPUHDJLDC-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)c2c1c1oc2c2c1nc1ccccc1n2
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.033g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.212g/mol
Monoisotopic Mass:
263.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
85.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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