CID 70505229

C6H4Na3O7 — CID 70505229

IUPAC—
SMILESO=C(O)C1=C(C(=O)O)C(C(=O)O)O1.[Na].[Na].[Na]
InChIInChI=1S/C6H4O7.3Na/c7-4(8)1-2(5(9)10)13-3(1)6(11)12;;;/h2H,(H,7,8)(H,9,10)(H,11,12);;;
InChIKeyRFMSNSJVNUFJMI-UHFFFAOYSA-N
MW257.06 g/mol
LogP-2.25
Rot. Bonds3

About CID 70505229

CID 70505229 (PubChem CID 70505229) has the molecular formula C6H4Na3O7 and a molecular weight of 257.06 g/mol.

Molecular Properties

Compound NameCID 70505229
PubChem CID70505229
Molecular FormulaC6H4Na3O7
Molecular Weight257.06 g/mol
Exact Mass256.97
IUPAC Name—
SMILESO=C(O)C1=C(C(=O)O)C(C(=O)O)O1.[Na].[Na].[Na]
InChIInChI=1S/C6H4O7.3Na/c7-4(8)1-2(5(9)10)13-3(1)6(11)12;;;/h2H,(H,7,8)(H,9,10)(H,11,12);;;
InChIKeyRFMSNSJVNUFJMI-UHFFFAOYSA-N
XLogP-2.25
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.06
LogP ≤ 5-2.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 70505229?
The IUPAC name of CID 70505229 (CID 70505229) is not available.
What is the SMILES notation for CID 70505229?
The canonical SMILES for CID 70505229 is O=C(O)C1=C(C(=O)O)C(C(=O)O)O1.[Na].[Na].[Na].
What is the InChIKey of CID 70505229?
The InChIKey is RFMSNSJVNUFJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O7.3Na/c7-4(8)1-2(5(9)10)13-3(1)6(11)12;;;/h2H,(H,7,8)(H,9,10)(H,11,12);;;.
What are the key properties of CID 70505229?
CID 70505229 has a molecular weight of 257.06 g/mol, XLogP of -2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70505229 is sourced from PubChem (CID 70505229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).