acetic acid;quinazolin-6-ol

C10H10N2O3 — CID 68538754

IUPACacetic acid;quinazolin-6-ol
SMILESCC(=O)O.Oc1ccc2ncncc2c1
InChIInChI=1S/C8H6N2O.C2H4O2/c11-7-1-2-8-6(3-7)4-9-5-10-8;1-2(3)4/h1-5,11H;1H3,(H,3,4)
InChIKeyBVQVEZWXIDNMJL-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.43
Rot. Bonds

About acetic acid;quinazolin-6-ol

acetic acid;quinazolin-6-ol (PubChem CID 68538754) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is acetic acid;quinazolin-6-ol.

Molecular Properties

Compound Nameacetic acid;quinazolin-6-ol
PubChem CID68538754
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Nameacetic acid;quinazolin-6-ol
SMILESCC(=O)O.Oc1ccc2ncncc2c1
InChIInChI=1S/C8H6N2O.C2H4O2/c11-7-1-2-8-6(3-7)4-9-5-10-8;1-2(3)4/h1-5,11H;1H3,(H,3,4)
InChIKeyBVQVEZWXIDNMJL-UHFFFAOYSA-N
XLogP1.43
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of acetic acid;quinazolin-6-ol?
The IUPAC name of acetic acid;quinazolin-6-ol (CID 68538754) is acetic acid;quinazolin-6-ol.
What is the SMILES notation for acetic acid;quinazolin-6-ol?
The canonical SMILES for acetic acid;quinazolin-6-ol is CC(=O)O.Oc1ccc2ncncc2c1.
What is the InChIKey of acetic acid;quinazolin-6-ol?
The InChIKey is BVQVEZWXIDNMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O.C2H4O2/c11-7-1-2-8-6(3-7)4-9-5-10-8;1-2(3)4/h1-5,11H;1H3,(H,3,4).
What are the key properties of acetic acid;quinazolin-6-ol?
acetic acid;quinazolin-6-ol has a molecular weight of 206.20 g/mol, XLogP of 1.43, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;quinazolin-6-ol is sourced from PubChem (CID 68538754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).