CID 70117604

C8H8NaO4 — CID 70117604

IUPAC—
SMILESO=C(O)C(O)c1ccccc1O.[Na]
InChIInChI=1S/C8H8O4.Na/c9-6-4-2-1-3-5(6)7(10)8(11)12;/h1-4,7,9-10H,(H,11,12);
InChIKeyJDSOSUKUNGDHLU-UHFFFAOYSA-N
MW191.14 g/mol
LogP0.13
Rot. Bonds2

About CID 70117604

CID 70117604 (PubChem CID 70117604) has the molecular formula C8H8NaO4 and a molecular weight of 191.14 g/mol.

Molecular Properties

Compound NameCID 70117604
PubChem CID70117604
Molecular FormulaC8H8NaO4
Molecular Weight191.14 g/mol
Exact Mass191.03
IUPAC Name—
SMILESO=C(O)C(O)c1ccccc1O.[Na]
InChIInChI=1S/C8H8O4.Na/c9-6-4-2-1-3-5(6)7(10)8(11)12;/h1-4,7,9-10H,(H,11,12);
InChIKeyJDSOSUKUNGDHLU-UHFFFAOYSA-N
XLogP0.13
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.14
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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(2S)-2-hydroxy-2-(2-iodophenyl)acetic acid
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azanium 2-hydroxy-2-(2-hydroxyphenyl)acetate
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2-(2-chlorophenyl)-2-hydroxyacetic acid;copper
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2-(2,6-dihydroxyphenyl)-2-hydroxyacetic acid
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2-(4-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid
CID 117280331
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
2-[2-(2-chloroacetyl)phenyl]-2-hydroxyacetic acid
CID 19743044
2-hydroxy-2-(2-hydroxy-5-propan-2-ylphenyl)acetic acid
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Frequently Asked Questions

What is the IUPAC name of CID 70117604?
The IUPAC name of CID 70117604 (CID 70117604) is not available.
What is the SMILES notation for CID 70117604?
The canonical SMILES for CID 70117604 is O=C(O)C(O)c1ccccc1O.[Na].
What is the InChIKey of CID 70117604?
The InChIKey is JDSOSUKUNGDHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O4.Na/c9-6-4-2-1-3-5(6)7(10)8(11)12;/h1-4,7,9-10H,(H,11,12);.
What are the key properties of CID 70117604?
CID 70117604 has a molecular weight of 191.14 g/mol, XLogP of 0.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70117604 is sourced from PubChem (CID 70117604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).