sodium;acetic acid;4-hydroxybenzoic acid;acetate

C11H13NaO7 — CID 175708691

IUPACsodium;acetic acid;4-hydroxybenzoic acid;acetate
SMILESCC(=O)O.CC(=O)[O-].O=C(O)c1ccc(O)cc1.[Na+]
InChIInChI=1S/C7H6O3.2C2H4O2.Na/c8-6-3-1-5(2-4-6)7(9)10;2*1-2(3)4;/h1-4,8H,(H,9,10);2*1H3,(H,3,4);/q;;;+1/p-1
InChIKeyCYCBDAGZNQFWHS-UHFFFAOYSA-M
MW280.21 g/mol
LogP-3.06
Rot. Bonds1

About sodium;acetic acid;4-hydroxybenzoic acid;acetate

sodium;acetic acid;4-hydroxybenzoic acid;acetate (PubChem CID 175708691) has the molecular formula C11H13NaO7 and a molecular weight of 280.21 g/mol. Its IUPAC name is sodium;acetic acid;4-hydroxybenzoic acid;acetate.

Molecular Properties

Compound Namesodium;acetic acid;4-hydroxybenzoic acid;acetate
PubChem CID175708691
Molecular FormulaC11H13NaO7
Molecular Weight280.21 g/mol
Exact Mass280.06
IUPAC Namesodium;acetic acid;4-hydroxybenzoic acid;acetate
SMILESCC(=O)O.CC(=O)[O-].O=C(O)c1ccc(O)cc1.[Na+]
InChIInChI=1S/C7H6O3.2C2H4O2.Na/c8-6-3-1-5(2-4-6)7(9)10;2*1-2(3)4;/h1-4,8H,(H,9,10);2*1H3,(H,3,4);/q;;;+1/p-1
InChIKeyCYCBDAGZNQFWHS-UHFFFAOYSA-M
XLogP-3.06
TPSA134.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 5-3.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze sodium;acetic acid;4-hydroxybenzoic acid;acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium;4-hydroxybenzoic acid;hydroxide
CID 161288203
4-hydroxy(11C)benzoic acid
CID 11275035
acetamide;4-hydroxybenzoic acid
CID 67150268
4-hydroxybenzoic acid;silver
CID 88784168
4-hydroxybenzoic acid;decahydrate
CID 140502755
4-hydroxybenzoic acid;tetrahydrate
CID 158154319
acetic acid;terephthalic acid
CID 158530154
sodium;4-hydroxybenzoic acid;nitrite
CID 139461106
formaldehyde;4-hydroxybenzoic acid
CID 68624082
ethene;bis(4-hydroxybenzoic acid)
CID 158613514
ethane;4-(4-hydroxyphenyl)benzoic acid
CID 91010322
acetic acid;cobalt;manganese;terephthalic acid
CID 174955175

Frequently Asked Questions

What is the IUPAC name of sodium;acetic acid;4-hydroxybenzoic acid;acetate?
The IUPAC name of sodium;acetic acid;4-hydroxybenzoic acid;acetate (CID 175708691) is sodium;acetic acid;4-hydroxybenzoic acid;acetate.
What is the SMILES notation for sodium;acetic acid;4-hydroxybenzoic acid;acetate?
The canonical SMILES for sodium;acetic acid;4-hydroxybenzoic acid;acetate is CC(=O)O.CC(=O)[O-].O=C(O)c1ccc(O)cc1.[Na+].
What is the InChIKey of sodium;acetic acid;4-hydroxybenzoic acid;acetate?
The InChIKey is CYCBDAGZNQFWHS-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O3.2C2H4O2.Na/c8-6-3-1-5(2-4-6)7(9)10;2*1-2(3)4;/h1-4,8H,(H,9,10);2*1H3,(H,3,4);/q;;;+1/p-1.
What are the key properties of sodium;acetic acid;4-hydroxybenzoic acid;acetate?
sodium;acetic acid;4-hydroxybenzoic acid;acetate has a molecular weight of 280.21 g/mol, XLogP of -3.06, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;acetic acid;4-hydroxybenzoic acid;acetate is sourced from PubChem (CID 175708691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).