CID 70265363

C10H10NaO4 — CID 70265363

IUPAC—
SMILESCOC(=O)c1cccc(C(=O)OC)c1.[Na]
InChIInChI=1S/C10H10O4.Na/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2;/h3-6H,1-2H3;
InChIKeyQPGQPZQYAMNOPE-UHFFFAOYSA-N
MW217.18 g/mol
LogP0.88
Rot. Bonds2

About CID 70265363

CID 70265363 (PubChem CID 70265363) has the molecular formula C10H10NaO4 and a molecular weight of 217.18 g/mol.

Molecular Properties

Compound NameCID 70265363
PubChem CID70265363
Molecular FormulaC10H10NaO4
Molecular Weight217.18 g/mol
Exact Mass217.05
IUPAC Name—
SMILESCOC(=O)c1cccc(C(=O)OC)c1.[Na]
InChIInChI=1S/C10H10O4.Na/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2;/h3-6H,1-2H3;
InChIKeyQPGQPZQYAMNOPE-UHFFFAOYSA-N
XLogP0.88
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 159558349
CID 159558349
azane;dimethyl benzene-1,3-dicarboxylate;hydron
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[amino-(3-methoxycarbonylphenyl)methylidene]-hydroxyazanium
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CID 122507435
methyl 3-(2-methylprop-2-enoyl)benzoate
CID 146011014
2-(3-methoxycarbonylphenyl)prop-2-enoic acid
CID 57302552
methyl 3-methylsulfonylbenzoate
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methyl 3-(benzamidocarbamoyl)benzoate
CID 17175438

Frequently Asked Questions

What is the IUPAC name of CID 70265363?
The IUPAC name of CID 70265363 (CID 70265363) is not available.
What is the SMILES notation for CID 70265363?
The canonical SMILES for CID 70265363 is COC(=O)c1cccc(C(=O)OC)c1.[Na].
What is the InChIKey of CID 70265363?
The InChIKey is QPGQPZQYAMNOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4.Na/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2;/h3-6H,1-2H3;.
What are the key properties of CID 70265363?
CID 70265363 has a molecular weight of 217.18 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70265363 is sourced from PubChem (CID 70265363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).