benzoic acid;formic acid

C12H16O12 — CID 175360098

IUPACbenzoic acid;formic acid
SMILESO=C(O)c1ccccc1.O=CO.O=CO.O=CO.O=CO.O=CO
InChIInChI=1S/C7H6O2.5CH2O2/c8-7(9)6-4-2-1-3-5-6;5*2-1-3/h1-5H,(H,8,9);5*1H,(H,2,3)
InChIKeyNVCWDQHHCWDIAP-UHFFFAOYSA-N
MW352.25 g/mol
LogP-0.11
Rot. Bonds1

About benzoic acid;formic acid

benzoic acid;formic acid (PubChem CID 175360098) has the molecular formula C12H16O12 and a molecular weight of 352.25 g/mol. Its IUPAC name is benzoic acid;formic acid.

Molecular Properties

Compound Namebenzoic acid;formic acid
PubChem CID175360098
Molecular FormulaC12H16O12
Molecular Weight352.25 g/mol
Exact Mass352.06
IUPAC Namebenzoic acid;formic acid
SMILESO=C(O)c1ccccc1.O=CO.O=CO.O=CO.O=CO.O=CO
InChIInChI=1S/C7H6O2.5CH2O2/c8-7(9)6-4-2-1-3-5-6;5*2-1-3/h1-5H,(H,8,9);5*1H,(H,2,3)
InChIKeyNVCWDQHHCWDIAP-UHFFFAOYSA-N
XLogP-0.11
TPSA223.80 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

benzoic acid;formic acid
CID 141027688
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 175360098) 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.O=CO.O=CO.O=CO.
What is the InChIKey of benzoic acid;formic acid?
The InChIKey is NVCWDQHHCWDIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.5CH2O2/c8-7(9)6-4-2-1-3-5-6;5*2-1-3/h1-5H,(H,8,9);5*1H,(H,2,3).
What are the key properties of benzoic acid;formic acid?
benzoic acid;formic acid has a molecular weight of 352.25 g/mol, XLogP of -0.11, 1 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;formic acid is sourced from PubChem (CID 175360098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).