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136497-59-1 | 1,8-Triphenodioxazinedicarboxylicacid
CAS No: 136497-59-1 Catalog No: AG0011WV MDL No:
Product Description
Catalog Number:
AG0011WV
Chemical Name:
1,8-Triphenodioxazinedicarboxylicacid
CAS Number:
136497-59-1
Molecular Formula:
C20H10N2O6
Molecular Weight:
374.3032
IUPAC Name:
[1,4]benzoxazino[3,2-i]phenoxazine-1,8-dicarboxylic acid
InChI:
InChI=1S/C20H10N2O6/c23-19(24)9-3-1-5-13-17(9)21-11-8-16-12(7-15(11)27-13)22-18-10(20(25)26)4-2-6-14(18)28-16/h1-8H,(H,23,24)(H,25,26)
InChI Key:
VCCQDVHRGCHIHS-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1N=c1cc3Oc4cccc(c4N=c3cc1O2)C(=O)O
Properties
Complexity:
787
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.054g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
374.308g/mol
Monoisotopic Mass:
374.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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