bicyclo[3.1.0]hexa-1(6),2,4-triene;carbonic acid

C7H6O3 — CID 70529102

IUPACbicyclo[3.1.0]hexa-1(6),2,4-triene;carbonic acid
SMILESO=C(O)O.c1cc2cc-2c1
InChIInChI=1S/C6H4.CH2O3/c1-2-5-4-6(5)3-1;2-1(3)4/h1-4H;(H2,2,3,4)
InChIKeyWAJTXCZYOVKLHY-UHFFFAOYSA-N
MW138.12 g/mol
LogP1.89
Rot. Bonds

About bicyclo[3.1.0]hexa-1(6),2,4-triene;carbonic acid

bicyclo[3.1.0]hexa-1(6),2,4-triene;carbonic acid (PubChem CID 70529102) has the molecular formula C7H6O3 and a molecular weight of 138.12 g/mol. Its IUPAC name is bicyclo[3.1.0]hexa-1(6),2,4-triene;carbonic acid.

Molecular Properties

Compound Namebicyclo[3.1.0]hexa-1(6),2,4-triene;carbonic acid
PubChem CID70529102
Molecular FormulaC7H6O3
Molecular Weight138.12 g/mol
Exact Mass138.03
IUPAC Namebicyclo[3.1.0]hexa-1(6),2,4-triene;carbonic acid
SMILESO=C(O)O.c1cc2cc-2c1
InChIInChI=1S/C6H4.CH2O3/c1-2-5-4-6(5)3-1;2-1(3)4/h1-4H;(H2,2,3,4)
InChIKeyWAJTXCZYOVKLHY-UHFFFAOYSA-N
XLogP1.89
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.12
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bicyclo[3.1.0]hexa-1(6),2,4-triene;carbonic acid?
The IUPAC name of bicyclo[3.1.0]hexa-1(6),2,4-triene;carbonic acid (CID 70529102) is bicyclo[3.1.0]hexa-1(6),2,4-triene;carbonic acid.
What is the SMILES notation for bicyclo[3.1.0]hexa-1(6),2,4-triene;carbonic acid?
The canonical SMILES for bicyclo[3.1.0]hexa-1(6),2,4-triene;carbonic acid is O=C(O)O.c1cc2cc-2c1.
What is the InChIKey of bicyclo[3.1.0]hexa-1(6),2,4-triene;carbonic acid?
The InChIKey is WAJTXCZYOVKLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.CH2O3/c1-2-5-4-6(5)3-1;2-1(3)4/h1-4H;(H2,2,3,4).
What are the key properties of bicyclo[3.1.0]hexa-1(6),2,4-triene;carbonic acid?
bicyclo[3.1.0]hexa-1(6),2,4-triene;carbonic acid has a molecular weight of 138.12 g/mol, XLogP of 1.89, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.1.0]hexa-1(6),2,4-triene;carbonic acid is sourced from PubChem (CID 70529102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).