acetic acid;2-hydroxyacetic acid;propanoic acid

C7H14O7 — CID 174880739

IUPACacetic acid;2-hydroxyacetic acid;propanoic acid
SMILESCC(=O)O.CCC(=O)O.O=C(O)CO
InChIInChI=1S/C3H6O2.C2H4O3.C2H4O2/c1-2-3(4)5;3-1-2(4)5;1-2(3)4/h2H2,1H3,(H,4,5);3H,1H2,(H,4,5);1H3,(H,3,4)
InChIKeyPUGAETHTFXGQGE-UHFFFAOYSA-N
MW210.18 g/mol
LogP-0.36
Rot. Bonds2

About acetic acid;2-hydroxyacetic acid;propanoic acid

acetic acid;2-hydroxyacetic acid;propanoic acid (PubChem CID 174880739) has the molecular formula C7H14O7 and a molecular weight of 210.18 g/mol. Its IUPAC name is acetic acid;2-hydroxyacetic acid;propanoic acid.

Molecular Properties

Compound Nameacetic acid;2-hydroxyacetic acid;propanoic acid
PubChem CID174880739
Molecular FormulaC7H14O7
Molecular Weight210.18 g/mol
Exact Mass210.07
IUPAC Nameacetic acid;2-hydroxyacetic acid;propanoic acid
SMILESCC(=O)O.CCC(=O)O.O=C(O)CO
InChIInChI=1S/C3H6O2.C2H4O3.C2H4O2/c1-2-3(4)5;3-1-2(4)5;1-2(3)4/h2H2,1H3,(H,4,5);3H,1H2,(H,4,5);1H3,(H,3,4)
InChIKeyPUGAETHTFXGQGE-UHFFFAOYSA-N
XLogP-0.36
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2-hydroxyacetic acid;propanoic acid?
The IUPAC name of acetic acid;2-hydroxyacetic acid;propanoic acid (CID 174880739) is acetic acid;2-hydroxyacetic acid;propanoic acid.
What is the SMILES notation for acetic acid;2-hydroxyacetic acid;propanoic acid?
The canonical SMILES for acetic acid;2-hydroxyacetic acid;propanoic acid is CC(=O)O.CCC(=O)O.O=C(O)CO.
What is the InChIKey of acetic acid;2-hydroxyacetic acid;propanoic acid?
The InChIKey is PUGAETHTFXGQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.C2H4O3.C2H4O2/c1-2-3(4)5;3-1-2(4)5;1-2(3)4/h2H2,1H3,(H,4,5);3H,1H2,(H,4,5);1H3,(H,3,4).
What are the key properties of acetic acid;2-hydroxyacetic acid;propanoic acid?
acetic acid;2-hydroxyacetic acid;propanoic acid has a molecular weight of 210.18 g/mol, XLogP of -0.36, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-hydroxyacetic acid;propanoic acid is sourced from PubChem (CID 174880739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).