acetylene;2-hydroxyacetic acid

C4H6O3 — CID 158693227

IUPACacetylene;2-hydroxyacetic acid
SMILESC#C.O=C(O)CO
InChIInChI=1S/C2H4O3.C2H2/c3-1-2(4)5;1-2/h3H,1H2,(H,4,5);1-2H
InChIKeyIGPQFHRLSKSRCW-UHFFFAOYSA-N
MW102.09 g/mol
LogP-0.69
Rot. Bonds1

About acetylene;2-hydroxyacetic acid

acetylene;2-hydroxyacetic acid (PubChem CID 158693227) has the molecular formula C4H6O3 and a molecular weight of 102.09 g/mol. Its IUPAC name is acetylene;2-hydroxyacetic acid.

Molecular Properties

Compound Nameacetylene;2-hydroxyacetic acid
PubChem CID158693227
Molecular FormulaC4H6O3
Molecular Weight102.09 g/mol
Exact Mass102.03
IUPAC Nameacetylene;2-hydroxyacetic acid
SMILESC#C.O=C(O)CO
InChIInChI=1S/C2H4O3.C2H2/c3-1-2(4)5;1-2/h3H,1H2,(H,4,5);1-2H
InChIKeyIGPQFHRLSKSRCW-UHFFFAOYSA-N
XLogP-0.69
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.09
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tetrakis(2-hydroxyacetic acid);silane
CID 173225780
bis(2-hydroxyacetic acid);methane
CID 158039555
CID 88684247
CID 88684247
azane;2-hydroxyacetic acid;zirconium
CID 173458110
benzene;2-hydroxyacetic acid
CID 67764636
dioxidanium;bis(2-hydroxyacetic acid);manganese
CID 5232950
2-hydroxyacetic acid;silane;zirconium
CID 174940076
heptakis(2-hydroxyacetic acid);yttrium;zirconium
CID 154733245
aluminum;2-hydroxyacetic acid;borate
CID 88603049
ethane-1,2-diol;2-hydroxyacetic acid;stibane
CID 174707857
2-hydroxyacetic acid;phosphoric acid
CID 23322415
2-hydroxyacetic acid;sulfurous acid
CID 87280138

Frequently Asked Questions

What is the IUPAC name of acetylene;2-hydroxyacetic acid?
The IUPAC name of acetylene;2-hydroxyacetic acid (CID 158693227) is acetylene;2-hydroxyacetic acid.
What is the SMILES notation for acetylene;2-hydroxyacetic acid?
The canonical SMILES for acetylene;2-hydroxyacetic acid is C#C.O=C(O)CO.
What is the InChIKey of acetylene;2-hydroxyacetic acid?
The InChIKey is IGPQFHRLSKSRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O3.C2H2/c3-1-2(4)5;1-2/h3H,1H2,(H,4,5);1-2H.
What are the key properties of acetylene;2-hydroxyacetic acid?
acetylene;2-hydroxyacetic acid has a molecular weight of 102.09 g/mol, XLogP of -0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;2-hydroxyacetic acid is sourced from PubChem (CID 158693227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).