2,6-dihydroxybenzaldehyde;formaldehyde

C8H8O4 — CID 158378810

IUPAC2,6-dihydroxybenzaldehyde;formaldehyde
SMILESC=O.O=Cc1c(O)cccc1O
InChIInChI=1S/C7H6O3.CH2O/c8-4-5-6(9)2-1-3-7(5)10;1-2/h1-4,9-10H;1H2
InChIKeyGVNNIHSAJXXMJC-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.73
Rot. Bonds1

About 2,6-dihydroxybenzaldehyde;formaldehyde

2,6-dihydroxybenzaldehyde;formaldehyde (PubChem CID 158378810) has the molecular formula C8H8O4 and a molecular weight of 168.15 g/mol. Its IUPAC name is 2,6-dihydroxybenzaldehyde;formaldehyde.

Molecular Properties

Compound Name2,6-dihydroxybenzaldehyde;formaldehyde
PubChem CID158378810
Molecular FormulaC8H8O4
Molecular Weight168.15 g/mol
Exact Mass168.04
IUPAC Name2,6-dihydroxybenzaldehyde;formaldehyde
SMILESC=O.O=Cc1c(O)cccc1O
InChIInChI=1S/C7H6O3.CH2O/c8-4-5-6(9)2-1-3-7(5)10;1-2/h1-4,9-10H;1H2
InChIKeyGVNNIHSAJXXMJC-UHFFFAOYSA-N
XLogP0.73
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxybenzaldehyde;formaldehyde?
The IUPAC name of 2,6-dihydroxybenzaldehyde;formaldehyde (CID 158378810) is 2,6-dihydroxybenzaldehyde;formaldehyde.
What is the SMILES notation for 2,6-dihydroxybenzaldehyde;formaldehyde?
The canonical SMILES for 2,6-dihydroxybenzaldehyde;formaldehyde is C=O.O=Cc1c(O)cccc1O.
What is the InChIKey of 2,6-dihydroxybenzaldehyde;formaldehyde?
The InChIKey is GVNNIHSAJXXMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.CH2O/c8-4-5-6(9)2-1-3-7(5)10;1-2/h1-4,9-10H;1H2.
What are the key properties of 2,6-dihydroxybenzaldehyde;formaldehyde?
2,6-dihydroxybenzaldehyde;formaldehyde has a molecular weight of 168.15 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxybenzaldehyde;formaldehyde is sourced from PubChem (CID 158378810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).