formic acid;toluene

C8H10O2 — CID 19848099

IUPACformic acid;toluene
SMILESCc1ccccc1.O=CO
InChIInChI=1S/C7H8.CH2O2/c1-7-5-3-2-4-6-7;2-1-3/h2-6H,1H3;1H,(H,2,3)
InChIKeyWVEPPXXXZXVMAR-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.70
Rot. Bonds

About formic acid;toluene

formic acid;toluene (PubChem CID 19848099) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is formic acid;toluene.

Molecular Properties

Compound Nameformic acid;toluene
PubChem CID19848099
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Nameformic acid;toluene
SMILESCc1ccccc1.O=CO
InChIInChI=1S/C7H8.CH2O2/c1-7-5-3-2-4-6-7;2-1-3/h2-6H,1H3;1H,(H,2,3)
InChIKeyWVEPPXXXZXVMAR-UHFFFAOYSA-N
XLogP1.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;toluene?
The IUPAC name of formic acid;toluene (CID 19848099) is formic acid;toluene.
What is the SMILES notation for formic acid;toluene?
The canonical SMILES for formic acid;toluene is Cc1ccccc1.O=CO.
What is the InChIKey of formic acid;toluene?
The InChIKey is WVEPPXXXZXVMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.CH2O2/c1-7-5-3-2-4-6-7;2-1-3/h2-6H,1H3;1H,(H,2,3).
What are the key properties of formic acid;toluene?
formic acid;toluene has a molecular weight of 138.17 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;toluene is sourced from PubChem (CID 19848099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).