disodium;2-(2-oxidophenyl)acetate

C8H6Na2O3 — CID 14326222

IUPACdisodium;2-(2-oxidophenyl)acetate
SMILESO=C([O-])Cc1ccccc1[O-].[Na+].[Na+]
InChIInChI=1S/C8H8O3.2Na/c9-7-4-2-1-3-6(7)5-8(10)11;;/h1-4,9H,5H2,(H,10,11);;/q;2*+1/p-2
InChIKeyULXDJOJYHMCNTM-UHFFFAOYSA-L
MW196.11 g/mol
LogP-6.94
Rot. Bonds2

About disodium;2-(2-oxidophenyl)acetate

disodium;2-(2-oxidophenyl)acetate (PubChem CID 14326222) has the molecular formula C8H6Na2O3 and a molecular weight of 196.11 g/mol. Its IUPAC name is disodium;2-(2-oxidophenyl)acetate.

Molecular Properties

Compound Namedisodium;2-(2-oxidophenyl)acetate
PubChem CID14326222
Molecular FormulaC8H6Na2O3
Molecular Weight196.11 g/mol
Exact Mass196.01
IUPAC Namedisodium;2-(2-oxidophenyl)acetate
SMILESO=C([O-])Cc1ccccc1[O-].[Na+].[Na+]
InChIInChI=1S/C8H8O3.2Na/c9-7-4-2-1-3-6(7)5-8(10)11;;/h1-4,9H,5H2,(H,10,11);;/q;2*+1/p-2
InChIKeyULXDJOJYHMCNTM-UHFFFAOYSA-L
XLogP-6.94
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.11
LogP ≤ 5-6.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

sodium 2-(2-methoxy-2-oxoethyl)phenolate
CID 162306929
2-[2-(oxidomethyl)phenyl]acetate
CID 59875197
2-(2-methoxy-2-oxoethyl)phenolate
CID 19356399
disodium bis(2-(2-sulfophenyl)acetate)
CID 141231735
lithium 2-phenylacetate
CID 19205773
2-(2-diazoniophenyl)acetate
CID 172717003
disodium;2-[2-[[6-[6-[[2-(carboxylatomethyl)phenoxy]methyl]-2-pyridinyl]-2-pyridinyl]methoxy]phenyl]acetate
CID 102458016
sodium 2-naphthalen-2-ylacetate
CID 23688045
sodium 3-(2-hydroxyphenyl)-2-oxopropanoate
CID 118606746
2-[3-(carboxylatomethyl)phenyl]acetate
CID 6931669
sodium 2-[2-(2,3,4,5,6-pentadeuterioanilino)phenyl]acetate
CID 46780340
sodium 2-(1,3-benzoxazol-2-yl)acetate
CID 75531246

Frequently Asked Questions

What is the IUPAC name of disodium;2-(2-oxidophenyl)acetate?
The IUPAC name of disodium;2-(2-oxidophenyl)acetate (CID 14326222) is disodium;2-(2-oxidophenyl)acetate.
What is the SMILES notation for disodium;2-(2-oxidophenyl)acetate?
The canonical SMILES for disodium;2-(2-oxidophenyl)acetate is O=C([O-])Cc1ccccc1[O-].[Na+].[Na+].
What is the InChIKey of disodium;2-(2-oxidophenyl)acetate?
The InChIKey is ULXDJOJYHMCNTM-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H8O3.2Na/c9-7-4-2-1-3-6(7)5-8(10)11;;/h1-4,9H,5H2,(H,10,11);;/q;2*+1/p-2.
What are the key properties of disodium;2-(2-oxidophenyl)acetate?
disodium;2-(2-oxidophenyl)acetate has a molecular weight of 196.11 g/mol, XLogP of -6.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-(2-oxidophenyl)acetate is sourced from PubChem (CID 14326222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).