disodium;2-(4-oxidophenyl)propanoate

C9H8Na2O3 — CID 171474664

IUPACdisodium;2-(4-oxidophenyl)propanoate
SMILESCC(C(=O)[O-])c1ccc([O-])cc1.[Na+].[Na+]
InChIInChI=1S/C9H10O3.2Na/c1-6(9(11)12)7-2-4-8(10)5-3-7;;/h2-6,10H,1H3,(H,11,12);;/q;2*+1/p-2
InChIKeyWFOBBCBZBKCTJI-UHFFFAOYSA-L
MW210.14 g/mol
LogP-6.38
Rot. Bonds2

About disodium;2-(4-oxidophenyl)propanoate

disodium;2-(4-oxidophenyl)propanoate (PubChem CID 171474664) has the molecular formula C9H8Na2O3 and a molecular weight of 210.14 g/mol. Its IUPAC name is disodium;2-(4-oxidophenyl)propanoate.

Molecular Properties

Compound Namedisodium;2-(4-oxidophenyl)propanoate
PubChem CID171474664
Molecular FormulaC9H8Na2O3
Molecular Weight210.14 g/mol
Exact Mass210.03
IUPAC Namedisodium;2-(4-oxidophenyl)propanoate
SMILESCC(C(=O)[O-])c1ccc([O-])cc1.[Na+].[Na+]
InChIInChI=1S/C9H10O3.2Na/c1-6(9(11)12)7-2-4-8(10)5-3-7;;/h2-6,10H,1H3,(H,11,12);;/q;2*+1/p-2
InChIKeyWFOBBCBZBKCTJI-UHFFFAOYSA-L
XLogP-6.38
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.14
LogP ≤ 5-6.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-fluorophenyl)propanoate
CID 7005039
azanium 2-phenylpropanoate
CID 146635852
cesium 2-phenylpropanoate
CID 23721405
2-(4-propan-2-ylsulfanylphenyl)propanoate
CID 78422660
potassium;2-[4-(2-methylpropyl)phenyl]propanoate;2-[4-(2-methylpropyl)phenyl]propanoic acid
CID 46175191
sodium 2-(3-methylphenyl)propanoate
CID 23706698
sodium 2-(6-methylsulfanylnaphthalen-2-yl)propanoate
CID 70590428
(2S)-2-(4-bromophenyl)propanoate;[(1R)-1-phenylethyl]azanium
CID 86609664
2-(4-amino-3-fluorophenyl)propanoate
CID 86609171
benzylazanium;(2R)-2-phenylpropanoate
CID 139061083
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
2-[4-[2-(4-tert-butylphenoxy)ethoxy]phenyl]propanoate
CID 22761104

Frequently Asked Questions

What is the IUPAC name of disodium;2-(4-oxidophenyl)propanoate?
The IUPAC name of disodium;2-(4-oxidophenyl)propanoate (CID 171474664) is disodium;2-(4-oxidophenyl)propanoate.
What is the SMILES notation for disodium;2-(4-oxidophenyl)propanoate?
The canonical SMILES for disodium;2-(4-oxidophenyl)propanoate is CC(C(=O)[O-])c1ccc([O-])cc1.[Na+].[Na+].
What is the InChIKey of disodium;2-(4-oxidophenyl)propanoate?
The InChIKey is WFOBBCBZBKCTJI-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H10O3.2Na/c1-6(9(11)12)7-2-4-8(10)5-3-7;;/h2-6,10H,1H3,(H,11,12);;/q;2*+1/p-2.
What are the key properties of disodium;2-(4-oxidophenyl)propanoate?
disodium;2-(4-oxidophenyl)propanoate has a molecular weight of 210.14 g/mol, XLogP of -6.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-(4-oxidophenyl)propanoate is sourced from PubChem (CID 171474664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).