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2072-68-6 | 1-Phenazinecarboxylic acid, 6-[(1,2-dihydroxyethoxy)methyl]-9-methoxy-
CAS No: 2072-68-6 Catalog No: AG002IW2 MDL No:
Product Description
Catalog Number:
AG002IW2
Chemical Name:
1-Phenazinecarboxylic acid, 6-[(1,2-dihydroxyethoxy)methyl]-9-methoxy-
CAS Number:
2072-68-6
Molecular Formula:
C17H16N2O6
Molecular Weight:
344.3187
IUPAC Name:
6-(1,2-dihydroxyethoxymethyl)-9-methoxyphenazine-1-carboxylic acid
InChI:
InChI=1S/C17H16N2O6/c1-24-12-6-5-9(8-25-13(21)7-20)14-16(12)19-15-10(17(22)23)3-2-4-11(15)18-14/h2-6,13,20-21H,7-8H2,1H3,(H,22,23)
InChI Key:
ZJHVCMQHJHPGMZ-UHFFFAOYSA-N
SMILES:
OCC(OCc1ccc(c2c1nc1cccc(c1n2)C(=O)O)OC)O
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.101g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
344.323g/mol
Monoisotopic Mass:
344.101g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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