sodium;formaldehyde;benzoate

C8H7NaO3 — CID 159976581

IUPACsodium;formaldehyde;benzoate
SMILESC=O.O=C([O-])c1ccccc1.[Na+]
InChIInChI=1S/C7H6O2.CH2O.Na/c8-7(9)6-4-2-1-3-5-6;1-2;/h1-5H,(H,8,9);1H2;/q;;+1/p-1
InChIKeyOFFSZHBTUXHQJQ-UHFFFAOYSA-M
MW174.13 g/mol
LogP-3.13
Rot. Bonds1

About sodium;formaldehyde;benzoate

sodium;formaldehyde;benzoate (PubChem CID 159976581) has the molecular formula C8H7NaO3 and a molecular weight of 174.13 g/mol. Its IUPAC name is sodium;formaldehyde;benzoate.

Molecular Properties

Compound Namesodium;formaldehyde;benzoate
PubChem CID159976581
Molecular FormulaC8H7NaO3
Molecular Weight174.13 g/mol
Exact Mass174.03
IUPAC Namesodium;formaldehyde;benzoate
SMILESC=O.O=C([O-])c1ccccc1.[Na+]
InChIInChI=1S/C7H6O2.CH2O.Na/c8-7(9)6-4-2-1-3-5-6;1-2;/h1-5H,(H,8,9);1H2;/q;;+1/p-1
InChIKeyOFFSZHBTUXHQJQ-UHFFFAOYSA-M
XLogP-3.13
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.13
LogP ≤ 5-3.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze sodium;formaldehyde;benzoate 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

carbanide;chromium(4+);formaldehyde;tribenzoate
CID 173194303
cerium(3+) tribenzoate
CID 6452877
benzoate tetrahydrate
CID 18510013
cobalt(3+) tribenzoate
CID 20537733
aluminum dibenzoate
CID 18679092
copper tribenzoate
CID 158096746
ruthenium(4+) tetrabenzoate
CID 173321421
calcium dibenzoate
CID 90470399
cadmium(2+) benzoate
CID 22051861
platinum(4+) tetrabenzoate
CID 173022810
azanium benzoate
CID 15830
triazanium;tribenzoate
CID 161450646

Frequently Asked Questions

What is the IUPAC name of sodium;formaldehyde;benzoate?
The IUPAC name of sodium;formaldehyde;benzoate (CID 159976581) is sodium;formaldehyde;benzoate.
What is the SMILES notation for sodium;formaldehyde;benzoate?
The canonical SMILES for sodium;formaldehyde;benzoate is C=O.O=C([O-])c1ccccc1.[Na+].
What is the InChIKey of sodium;formaldehyde;benzoate?
The InChIKey is OFFSZHBTUXHQJQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O2.CH2O.Na/c8-7(9)6-4-2-1-3-5-6;1-2;/h1-5H,(H,8,9);1H2;/q;;+1/p-1.
What are the key properties of sodium;formaldehyde;benzoate?
sodium;formaldehyde;benzoate has a molecular weight of 174.13 g/mol, XLogP of -3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;formaldehyde;benzoate is sourced from PubChem (CID 159976581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).