acetic acid;methanetriol

C3H8O5 — CID 174483633

IUPACacetic acid;methanetriol
SMILESCC(=O)O.OC(O)O
InChIInChI=1S/C2H4O2.CH4O3/c1-2(3)4;2-1(3)4/h1H3,(H,3,4);1-4H
InChIKeyYETFWERGKFEWPX-UHFFFAOYSA-N
MW124.09 g/mol
LogP-1.66
Rot. Bonds

About acetic acid;methanetriol

acetic acid;methanetriol (PubChem CID 174483633) has the molecular formula C3H8O5 and a molecular weight of 124.09 g/mol. Its IUPAC name is acetic acid;methanetriol.

Molecular Properties

Compound Nameacetic acid;methanetriol
PubChem CID174483633
Molecular FormulaC3H8O5
Molecular Weight124.09 g/mol
Exact Mass124.04
IUPAC Nameacetic acid;methanetriol
SMILESCC(=O)O.OC(O)O
InChIInChI=1S/C2H4O2.CH4O3/c1-2(3)4;2-1(3)4/h1H3,(H,3,4);1-4H
InChIKeyYETFWERGKFEWPX-UHFFFAOYSA-N
XLogP-1.66
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.09
LogP ≤ 5-1.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

acetic acid
CID 158444727
acetic acid;1-aminoethanol
CID 87647185
acetic acid;cobalt
CID 54602348
acetic acid;ethane
CID 173070051
acetic acid;methanol
CID 173388753
acetic acid;stibane
CID 173054099
acetic acid;ethane
CID 173226324
acetic acid;tris(yttrium)
CID 59994727
acetic acid;nickel(2+)
CID 22169473
acetic acid;cobalt
CID 59294242
acetic acid;vanadium
CID 173443465
acetic acid;germane
CID 174334920

Frequently Asked Questions

What is the IUPAC name of acetic acid;methanetriol?
The IUPAC name of acetic acid;methanetriol (CID 174483633) is acetic acid;methanetriol.
What is the SMILES notation for acetic acid;methanetriol?
The canonical SMILES for acetic acid;methanetriol is CC(=O)O.OC(O)O.
What is the InChIKey of acetic acid;methanetriol?
The InChIKey is YETFWERGKFEWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.CH4O3/c1-2(3)4;2-1(3)4/h1H3,(H,3,4);1-4H.
What are the key properties of acetic acid;methanetriol?
acetic acid;methanetriol has a molecular weight of 124.09 g/mol, XLogP of -1.66, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;methanetriol is sourced from PubChem (CID 174483633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).