benzoic acid;formic acid

C9H10O6 — CID 141027688

IUPACbenzoic acid;formic acid
SMILESO=C(O)c1ccccc1.O=CO.O=CO
InChIInChI=1S/C7H6O2.2CH2O2/c8-7(9)6-4-2-1-3-5-6;2*2-1-3/h1-5H,(H,8,9);2*1H,(H,2,3)
InChIKeyJBDQKPNNQJZPGJ-UHFFFAOYSA-N
MW214.17 g/mol
LogP0.79
Rot. Bonds1

About benzoic acid;formic acid

benzoic acid;formic acid (PubChem CID 141027688) has the molecular formula C9H10O6 and a molecular weight of 214.17 g/mol. Its IUPAC name is benzoic acid;formic acid.

Molecular Properties

Compound Namebenzoic acid;formic acid
PubChem CID141027688
Molecular FormulaC9H10O6
Molecular Weight214.17 g/mol
Exact Mass214.05
IUPAC Namebenzoic acid;formic acid
SMILESO=C(O)c1ccccc1.O=CO.O=CO
InChIInChI=1S/C7H6O2.2CH2O2/c8-7(9)6-4-2-1-3-5-6;2*2-1-3/h1-5H,(H,8,9);2*1H,(H,2,3)
InChIKeyJBDQKPNNQJZPGJ-UHFFFAOYSA-N
XLogP0.79
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

benzoic acid;formic acid
CID 175360098
benzene;benzoic acid;formic acid;hydrate
CID 141387822
benzoic acid;formic acid;prop-2-enoic acid
CID 141485306
benzene-1,2,4,5-tetrol;benzoic acid;formic acid
CID 173061475
acetaldehyde;benzoic acid
CID 142179743
benzoic acid;formamide
CID 23295678
Lithium benzoate, 99%
CID 57451198
benzoic acid;zirconium
CID 173089080
CID 87090637
CID 87090637
CID 87293530
CID 87293530
benzoic acid;trihydrate
CID 157398339
benzoic acid;chromium
CID 139063467

Frequently Asked Questions

What is the IUPAC name of benzoic acid;formic acid?
The IUPAC name of benzoic acid;formic acid (CID 141027688) is benzoic acid;formic acid.
What is the SMILES notation for benzoic acid;formic acid?
The canonical SMILES for benzoic acid;formic acid is O=C(O)c1ccccc1.O=CO.O=CO.
What is the InChIKey of benzoic acid;formic acid?
The InChIKey is JBDQKPNNQJZPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.2CH2O2/c8-7(9)6-4-2-1-3-5-6;2*2-1-3/h1-5H,(H,8,9);2*1H,(H,2,3).
What are the key properties of benzoic acid;formic acid?
benzoic acid;formic acid has a molecular weight of 214.17 g/mol, XLogP of 0.79, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;formic acid is sourced from PubChem (CID 141027688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).