CID 67900504

C9H7NNa2O6 — CID 67900504

IUPAC—
SMILESCC(=O)Oc1cc(C(=O)O)nc(C(=O)O)c1.[Na].[Na]
InChIInChI=1S/C9H7NO6.2Na/c1-4(11)16-5-2-6(8(12)13)10-7(3-5)9(14)15;;/h2-3H,1H3,(H,12,13)(H,14,15);;
InChIKeyGOWNFOVZEZKZOM-UHFFFAOYSA-N
MW271.14 g/mol
LogP-0.36
Rot. Bonds3

About CID 67900504

CID 67900504 (PubChem CID 67900504) has the molecular formula C9H7NNa2O6 and a molecular weight of 271.14 g/mol.

Molecular Properties

Compound NameCID 67900504
PubChem CID67900504
Molecular FormulaC9H7NNa2O6
Molecular Weight271.14 g/mol
Exact Mass271.01
IUPAC Name—
SMILESCC(=O)Oc1cc(C(=O)O)nc(C(=O)O)c1.[Na].[Na]
InChIInChI=1S/C9H7NO6.2Na/c1-4(11)16-5-2-6(8(12)13)10-7(3-5)9(14)15;;/h2-3H,1H3,(H,12,13)(H,14,15);;
InChIKeyGOWNFOVZEZKZOM-UHFFFAOYSA-N
XLogP-0.36
TPSA113.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-dichloroquinazolin-6-yl) acetate
CID 101166088
4-(2,6-dicarboxy-4-pyridinyl)pyridine-2,6-dicarboxylic acid;trihydrate
CID 139149283
(2-chloro-6-methyl-4-pyridinyl) acetate
CID 174361244
4-ethoxy-6-methoxycarbonylpyridine-2-carboxylic acid
CID 23292064
2,5-diacetyloxy-3-formylbenzoic acid
CID 166732059
(3,4,5-triacetyloxyphenyl) acetate
CID 15689628
(2-methylquinolin-7-yl) acetate
CID 119085937
6-methyl-2-propan-2-yloxypyrimidine-4-carboxylic acid
CID 55269383
6-acetyloxy-2-hydroxynaphthalene-1-carboxylic acid
CID 70465846
phenyl acetate;hydroiodide
CID 172788123
4-(1-hydroxyethyl)pyridine-2,6-dicarboxylic acid
CID 138674000
(2-chloroquinolin-7-yl) acetate
CID 174716501

Frequently Asked Questions

What is the IUPAC name of CID 67900504?
The IUPAC name of CID 67900504 (CID 67900504) is not available.
What is the SMILES notation for CID 67900504?
The canonical SMILES for CID 67900504 is CC(=O)Oc1cc(C(=O)O)nc(C(=O)O)c1.[Na].[Na].
What is the InChIKey of CID 67900504?
The InChIKey is GOWNFOVZEZKZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO6.2Na/c1-4(11)16-5-2-6(8(12)13)10-7(3-5)9(14)15;;/h2-3H,1H3,(H,12,13)(H,14,15);;.
What are the key properties of CID 67900504?
CID 67900504 has a molecular weight of 271.14 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67900504 is sourced from PubChem (CID 67900504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).