benzene;formic acid

C7H8O2 — CID 18781742

IUPACbenzene;formic acid
SMILESO=CO.c1ccccc1
InChIInChI=1S/C6H6.CH2O2/c1-2-4-6-5-3-1;2-1-3/h1-6H;1H,(H,2,3)
InChIKeyIMXLQXHCHYKEEE-UHFFFAOYSA-N
MW124.14 g/mol
LogP1.39
Rot. Bonds

About benzene;formic acid

benzene;formic acid (PubChem CID 18781742) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is benzene;formic acid.

Molecular Properties

Compound Namebenzene;formic acid
PubChem CID18781742
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Namebenzene;formic acid
SMILESO=CO.c1ccccc1
InChIInChI=1S/C6H6.CH2O2/c1-2-4-6-5-3-1;2-1-3/h1-6H;1H,(H,2,3)
InChIKeyIMXLQXHCHYKEEE-UHFFFAOYSA-N
XLogP1.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Methanol, (phenylphosphinidene)bis-
CID 201037
Formocresol
CID 156614093
Methyl (phenyltelluro)-formate
CID 10777993
Benzene methanol
CID 21927730
AcOH benzene
CID 22229412
Carboxyphenylsilane
CID 54174293
(Hydroxymethyl)phenylboronic acid
CID 66666392
Carboxyphenylboronic acid
CID 67116908
Carboxyphenylstibonic acid
CID 88749053
(Bis-hydroxymethyl)-phenylphosphine oxide
CID 129695359
Dihydroxymethylphenylphosphine
CID 129809928
CID 134945524
CID 134945524

Frequently Asked Questions

What is the IUPAC name of benzene;formic acid?
The IUPAC name of benzene;formic acid (CID 18781742) is benzene;formic acid.
What is the SMILES notation for benzene;formic acid?
The canonical SMILES for benzene;formic acid is O=CO.c1ccccc1.
What is the InChIKey of benzene;formic acid?
The InChIKey is IMXLQXHCHYKEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.CH2O2/c1-2-4-6-5-3-1;2-1-3/h1-6H;1H,(H,2,3).
What are the key properties of benzene;formic acid?
benzene;formic acid has a molecular weight of 124.14 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;formic acid is sourced from PubChem (CID 18781742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).