Bicyclo[2.2.0]hexa-1,3,5-triene;formaldehyde

C7H6O — CID 19006641

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;formaldehyde
SMILESC=O.C1=CC2=CC=C21
InChIInChI=1S/C6H4.CH2O/c1-2-6-4-3-5(1)6;1-2/h1-4H;1H2
InChIKeyIBMDJVRWAZHFKZ-UHFFFAOYSA-N
MW106.12 g/mol
LogP—
Rot. Bonds

About Bicyclo[2.2.0]hexa-1,3,5-triene;formaldehyde

Bicyclo[2.2.0]hexa-1,3,5-triene;formaldehyde (PubChem CID 19006641) has the molecular formula C7H6O and a molecular weight of 106.12 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;formaldehyde.

Molecular Properties

Compound NameBicyclo[2.2.0]hexa-1,3,5-triene;formaldehyde
PubChem CID19006641
Molecular FormulaC7H6O
Molecular Weight106.12 g/mol
Exact Mass106.04
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;formaldehyde
SMILESC=O.C1=CC2=CC=C21
InChIInChI=1S/C6H4.CH2O/c1-2-6-4-3-5(1)6;1-2/h1-4H;1H2
InChIKeyIBMDJVRWAZHFKZ-UHFFFAOYSA-N
XLogP—
TPSA17.10 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity50

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of Bicyclo[2.2.0]hexa-1,3,5-triene;formaldehyde?
The IUPAC name of Bicyclo[2.2.0]hexa-1,3,5-triene;formaldehyde (CID 19006641) is bicyclo[2.2.0]hexa-1,3,5-triene;formaldehyde.
What is the SMILES notation for Bicyclo[2.2.0]hexa-1,3,5-triene;formaldehyde?
The canonical SMILES for Bicyclo[2.2.0]hexa-1,3,5-triene;formaldehyde is C=O.C1=CC2=CC=C21.
What is the InChIKey of Bicyclo[2.2.0]hexa-1,3,5-triene;formaldehyde?
The InChIKey is IBMDJVRWAZHFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.CH2O/c1-2-6-4-3-5(1)6;1-2/h1-4H;1H2.
What are the key properties of Bicyclo[2.2.0]hexa-1,3,5-triene;formaldehyde?
Bicyclo[2.2.0]hexa-1,3,5-triene;formaldehyde has a molecular weight of 106.12 g/mol, XLogP of not available, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Bicyclo[2.2.0]hexa-1,3,5-triene;formaldehyde is sourced from PubChem (CID 19006641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).