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116511-07-0 | 3H-Phenoxazine-8-carboxylic acid, 2-(acetylamino)-3-oxo-
CAS No: 116511-07-0 Catalog No: AG000CO4 MDL No:
Product Description
Catalog Number:
AG000CO4
Chemical Name:
3H-Phenoxazine-8-carboxylic acid, 2-(acetylamino)-3-oxo-
CAS Number:
116511-07-0
Molecular Formula:
C15H10N2O5
Molecular Weight:
298.2503
IUPAC Name:
8-acetamido-7-oxophenoxazine-2-carboxylic acid
InChI:
InChI=1S/C15H10N2O5/c1-7(18)16-9-5-11-14(6-12(9)19)22-13-3-2-8(15(20)21)4-10(13)17-11/h2-6H,1H3,(H,16,18)(H,20,21)
InChI Key:
XYAHGPPEMKOZBC-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cc2nc3cc(ccc3oc2cc1=O)C(=O)O
Properties
Complexity:
646
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.059g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.254g/mol
Monoisotopic Mass:
298.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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