10H-phenoxazine-4,6-dicarboxylic acid

C14H9NO5 — CID 14031272

IUPAC10H-phenoxazine-4,6-dicarboxylic acid
SMILESO=C(O)c1cccc2c1Oc1c(cccc1C(=O)O)N2
InChIInChI=1S/C14H9NO5/c16-13(17)7-3-1-5-9-11(7)20-12-8(14(18)19)4-2-6-10(12)15-9/h1-6,15H,(H,16,17)(H,18,19)
InChIKeyBVFNHKLXUHGYFV-UHFFFAOYSA-N
MW271.23 g/mol
LogP2.93
Rot. Bonds2

About 10H-phenoxazine-4,6-dicarboxylic acid

10H-phenoxazine-4,6-dicarboxylic acid (PubChem CID 14031272) has the molecular formula C14H9NO5 and a molecular weight of 271.23 g/mol. Its IUPAC name is 10H-phenoxazine-4,6-dicarboxylic acid.

Molecular Properties

Compound Name10H-phenoxazine-4,6-dicarboxylic acid
PubChem CID14031272
Molecular FormulaC14H9NO5
Molecular Weight271.23 g/mol
Exact Mass271.05
IUPAC Name10H-phenoxazine-4,6-dicarboxylic acid
SMILESO=C(O)c1cccc2c1Oc1c(cccc1C(=O)O)N2
InChIInChI=1S/C14H9NO5/c16-13(17)7-3-1-5-9-11(7)20-12-8(14(18)19)4-2-6-10(12)15-9/h1-6,15H,(H,16,17)(H,18,19)
InChIKeyBVFNHKLXUHGYFV-UHFFFAOYSA-N
XLogP2.93
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-acetyl-10H-phenoxazin-4-yl)ethanone
CID 21276359
10-phenylphenoxazine-4,6-dicarboxylic acid
CID 101021790
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CID 70040488
benzene;naphthalene-1,8-dicarboxylic acid
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carbonic acid;2-methylbenzene-1,3-dicarboxylic acid
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6,7,8,9,9a,10-hexahydro-5aH-phenoxazine-4-carboxylic acid
CID 84627452
naphthalene-1,8-dicarboxylic acid;silver
CID 91865760
CID 66717184
CID 66717184
hydron;phthalic acid
CID 67386665
phthalic acid;hydrobromide
CID 71236392
cerium;tris(naphthalene-1,5-dicarboxylic acid)
CID 162353954
2-hydroxybenzene-1,3-dicarboxylic acid;methane
CID 174853771

Frequently Asked Questions

What is the IUPAC name of 10H-phenoxazine-4,6-dicarboxylic acid?
The IUPAC name of 10H-phenoxazine-4,6-dicarboxylic acid (CID 14031272) is 10H-phenoxazine-4,6-dicarboxylic acid.
What is the SMILES notation for 10H-phenoxazine-4,6-dicarboxylic acid?
The canonical SMILES for 10H-phenoxazine-4,6-dicarboxylic acid is O=C(O)c1cccc2c1Oc1c(cccc1C(=O)O)N2.
What is the InChIKey of 10H-phenoxazine-4,6-dicarboxylic acid?
The InChIKey is BVFNHKLXUHGYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO5/c16-13(17)7-3-1-5-9-11(7)20-12-8(14(18)19)4-2-6-10(12)15-9/h1-6,15H,(H,16,17)(H,18,19).
What are the key properties of 10H-phenoxazine-4,6-dicarboxylic acid?
10H-phenoxazine-4,6-dicarboxylic acid has a molecular weight of 271.23 g/mol, XLogP of 2.93, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-phenoxazine-4,6-dicarboxylic acid is sourced from PubChem (CID 14031272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).