bicyclo[2.2.0]hexa-1,3,5-triene;2-hydroxyacetic acid

C8H8O3 — CID 67922278

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;2-hydroxyacetic acid
SMILESO=C(O)CO.c1cc2ccc1-2
InChIInChI=1S/C6H4.C2H4O3/c1-2-6-4-3-5(1)6;3-1-2(4)5/h1-4H;3H,1H2,(H,4,5)
InChIKeyZZSFRWQCBIFLOP-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.73
Rot. Bonds1

About bicyclo[2.2.0]hexa-1,3,5-triene;2-hydroxyacetic acid

bicyclo[2.2.0]hexa-1,3,5-triene;2-hydroxyacetic acid (PubChem CID 67922278) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;2-hydroxyacetic acid.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,3,5-triene;2-hydroxyacetic acid
PubChem CID67922278
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;2-hydroxyacetic acid
SMILESO=C(O)CO.c1cc2ccc1-2
InChIInChI=1S/C6H4.C2H4O3/c1-2-6-4-3-5(1)6;3-1-2(4)5/h1-4H;3H,1H2,(H,4,5)
InChIKeyZZSFRWQCBIFLOP-UHFFFAOYSA-N
XLogP0.73
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;2-hydroxyacetic acid?
The IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;2-hydroxyacetic acid (CID 67922278) is bicyclo[2.2.0]hexa-1,3,5-triene;2-hydroxyacetic acid.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,3,5-triene;2-hydroxyacetic acid?
The canonical SMILES for bicyclo[2.2.0]hexa-1,3,5-triene;2-hydroxyacetic acid is O=C(O)CO.c1cc2ccc1-2.
What is the InChIKey of bicyclo[2.2.0]hexa-1,3,5-triene;2-hydroxyacetic acid?
The InChIKey is ZZSFRWQCBIFLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.C2H4O3/c1-2-6-4-3-5(1)6;3-1-2(4)5/h1-4H;3H,1H2,(H,4,5).
What are the key properties of bicyclo[2.2.0]hexa-1,3,5-triene;2-hydroxyacetic acid?
bicyclo[2.2.0]hexa-1,3,5-triene;2-hydroxyacetic acid has a molecular weight of 152.15 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexa-1,3,5-triene;2-hydroxyacetic acid is sourced from PubChem (CID 67922278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).