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146-90-7 | 3H-Phenoxazine-1-carboxylic acid, 2-amino-9-(hydroxymethyl)-3-oxo-
CAS No: 146-90-7 Catalog No: AG001DM0 MDL No:
Product Description
Catalog Number:
AG001DM0
Chemical Name:
3H-Phenoxazine-1-carboxylic acid, 2-amino-9-(hydroxymethyl)-3-oxo-
CAS Number:
146-90-7
Molecular Formula:
C14H10N2O5
Molecular Weight:
286.2396
IUPAC Name:
2-amino-9-(hydroxymethyl)-3-oxophenoxazine-1-carboxylic acid
InChI:
InChI=1S/C14H10N2O5/c15-11-7(18)4-9-13(10(11)14(19)20)16-12-6(5-17)2-1-3-8(12)21-9/h1-4,17H,5,15H2,(H,19,20)
InChI Key:
BHUPIKYIGMWGAD-UHFFFAOYSA-N
SMILES:
OCc1cccc2c1nc1c(o2)cc(=O)c(c1C(=O)O)N
UNII:
6FT3OBW0T5
NSC Number:
71698
Properties
Complexity:
605
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.059g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
286.243g/mol
Monoisotopic Mass:
286.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| HPLC and NMR studies of phenoxazone alkaloids from Pycnoporus cinnabarinus. | Natural product communications 20090401 |
| Toxicity and antiviral activity of cinnabarin obtained from Pycnoporus sanguineus (Fr.) Murr. | Phytotherapy research : PTR 20031101 |
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