CID 162313209

C10H10NaO4 — CID 162313209

IUPAC—
SMILESCc1cc(C)c(C(=O)O)cc1C(=O)O.[Na]
InChIInChI=1S/C10H10O4.Na/c1-5-3-6(2)8(10(13)14)4-7(5)9(11)12;/h3-4H,1-2H3,(H,11,12)(H,13,14);
InChIKeyAMDQOQKRVNMUPK-UHFFFAOYSA-N
MW217.18 g/mol
LogP1.32
Rot. Bonds2

About CID 162313209

CID 162313209 (PubChem CID 162313209) has the molecular formula C10H10NaO4 and a molecular weight of 217.18 g/mol.

Molecular Properties

Compound NameCID 162313209
PubChem CID162313209
Molecular FormulaC10H10NaO4
Molecular Weight217.18 g/mol
Exact Mass217.05
IUPAC Name—
SMILESCc1cc(C)c(C(=O)O)cc1C(=O)O.[Na]
InChIInChI=1S/C10H10O4.Na/c1-5-3-6(2)8(10(13)14)4-7(5)9(11)12;/h3-4H,1-2H3,(H,11,12)(H,13,14);
InChIKeyAMDQOQKRVNMUPK-UHFFFAOYSA-N
XLogP1.32
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 162313209?
The IUPAC name of CID 162313209 (CID 162313209) is not available.
What is the SMILES notation for CID 162313209?
The canonical SMILES for CID 162313209 is Cc1cc(C)c(C(=O)O)cc1C(=O)O.[Na].
What is the InChIKey of CID 162313209?
The InChIKey is AMDQOQKRVNMUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4.Na/c1-5-3-6(2)8(10(13)14)4-7(5)9(11)12;/h3-4H,1-2H3,(H,11,12)(H,13,14);.
What are the key properties of CID 162313209?
CID 162313209 has a molecular weight of 217.18 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162313209 is sourced from PubChem (CID 162313209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).