acetic acid;2-methylbicyclo[2.2.0]hexa-1,3,5-triene

C9H10O2 — CID 70501688

IUPACacetic acid;2-methylbicyclo[2.2.0]hexa-1,3,5-triene
SMILESCC(=O)O.Cc1cc2ccc1-2
InChIInChI=1S/C7H6.C2H4O2/c1-5-4-6-2-3-7(5)6;1-2(3)4/h2-4H,1H3;1H3,(H,3,4)
InChIKeySUEQBWOZCCXTKU-UHFFFAOYSA-N
MW150.18 g/mol
LogP2.07
Rot. Bonds

About acetic acid;2-methylbicyclo[2.2.0]hexa-1,3,5-triene

acetic acid;2-methylbicyclo[2.2.0]hexa-1,3,5-triene (PubChem CID 70501688) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is acetic acid;2-methylbicyclo[2.2.0]hexa-1,3,5-triene.

Molecular Properties

Compound Nameacetic acid;2-methylbicyclo[2.2.0]hexa-1,3,5-triene
PubChem CID70501688
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Nameacetic acid;2-methylbicyclo[2.2.0]hexa-1,3,5-triene
SMILESCC(=O)O.Cc1cc2ccc1-2
InChIInChI=1S/C7H6.C2H4O2/c1-5-4-6-2-3-7(5)6;1-2(3)4/h2-4H,1H3;1H3,(H,3,4)
InChIKeySUEQBWOZCCXTKU-UHFFFAOYSA-N
XLogP2.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2-methylbicyclo[2.2.0]hexa-1,3,5-triene?
The IUPAC name of acetic acid;2-methylbicyclo[2.2.0]hexa-1,3,5-triene (CID 70501688) is acetic acid;2-methylbicyclo[2.2.0]hexa-1,3,5-triene.
What is the SMILES notation for acetic acid;2-methylbicyclo[2.2.0]hexa-1,3,5-triene?
The canonical SMILES for acetic acid;2-methylbicyclo[2.2.0]hexa-1,3,5-triene is CC(=O)O.Cc1cc2ccc1-2.
What is the InChIKey of acetic acid;2-methylbicyclo[2.2.0]hexa-1,3,5-triene?
The InChIKey is SUEQBWOZCCXTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6.C2H4O2/c1-5-4-6-2-3-7(5)6;1-2(3)4/h2-4H,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-methylbicyclo[2.2.0]hexa-1,3,5-triene?
acetic acid;2-methylbicyclo[2.2.0]hexa-1,3,5-triene has a molecular weight of 150.18 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-methylbicyclo[2.2.0]hexa-1,3,5-triene is sourced from PubChem (CID 70501688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).