acetic acid;2,3-dihydro-1,4-benzodioxin-6-ol

C10H12O5 — CID 71404632

IUPACacetic acid;2,3-dihydro-1,4-benzodioxin-6-ol
SMILESCC(=O)O.Oc1ccc2c(c1)OCCO2
InChIInChI=1S/C8H8O3.C2H4O2/c9-6-1-2-7-8(5-6)11-4-3-10-7;1-2(3)4/h1-2,5,9H,3-4H2;1H3,(H,3,4)
InChIKeyCFXMJXHQVIIBJN-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.25
Rot. Bonds

About acetic acid;2,3-dihydro-1,4-benzodioxin-6-ol

acetic acid;2,3-dihydro-1,4-benzodioxin-6-ol (PubChem CID 71404632) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is acetic acid;2,3-dihydro-1,4-benzodioxin-6-ol.

Molecular Properties

Compound Nameacetic acid;2,3-dihydro-1,4-benzodioxin-6-ol
PubChem CID71404632
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Nameacetic acid;2,3-dihydro-1,4-benzodioxin-6-ol
SMILESCC(=O)O.Oc1ccc2c(c1)OCCO2
InChIInChI=1S/C8H8O3.C2H4O2/c9-6-1-2-7-8(5-6)11-4-3-10-7;1-2(3)4/h1-2,5,9H,3-4H2;1H3,(H,3,4)
InChIKeyCFXMJXHQVIIBJN-UHFFFAOYSA-N
XLogP1.25
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2,3-dihydro-1,4-benzodioxin-6-ol?
The IUPAC name of acetic acid;2,3-dihydro-1,4-benzodioxin-6-ol (CID 71404632) is acetic acid;2,3-dihydro-1,4-benzodioxin-6-ol.
What is the SMILES notation for acetic acid;2,3-dihydro-1,4-benzodioxin-6-ol?
The canonical SMILES for acetic acid;2,3-dihydro-1,4-benzodioxin-6-ol is CC(=O)O.Oc1ccc2c(c1)OCCO2.
What is the InChIKey of acetic acid;2,3-dihydro-1,4-benzodioxin-6-ol?
The InChIKey is CFXMJXHQVIIBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.C2H4O2/c9-6-1-2-7-8(5-6)11-4-3-10-7;1-2(3)4/h1-2,5,9H,3-4H2;1H3,(H,3,4).
What are the key properties of acetic acid;2,3-dihydro-1,4-benzodioxin-6-ol?
acetic acid;2,3-dihydro-1,4-benzodioxin-6-ol has a molecular weight of 212.20 g/mol, XLogP of 1.25, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2,3-dihydro-1,4-benzodioxin-6-ol is sourced from PubChem (CID 71404632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).