acetylene;2-hydroxypropane-1,2,3-tricarboxylic acid

C8H10O7 — CID 159654309

IUPACacetylene;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESC#C.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O7.C2H2/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-2H
InChIKeyMRZDFRGQAMWSFX-UHFFFAOYSA-N
MW218.16 g/mol
LogP-1.00
Rot. Bonds5

About acetylene;2-hydroxypropane-1,2,3-tricarboxylic acid

acetylene;2-hydroxypropane-1,2,3-tricarboxylic acid (PubChem CID 159654309) has the molecular formula C8H10O7 and a molecular weight of 218.16 g/mol. Its IUPAC name is acetylene;2-hydroxypropane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Nameacetylene;2-hydroxypropane-1,2,3-tricarboxylic acid
PubChem CID159654309
Molecular FormulaC8H10O7
Molecular Weight218.16 g/mol
Exact Mass218.04
IUPAC Nameacetylene;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESC#C.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O7.C2H2/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-2H
InChIKeyMRZDFRGQAMWSFX-UHFFFAOYSA-N
XLogP-1.00
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 5-1.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dialuminum;2-hydroxypropane-1,2,3-tricarboxylic acid;tris(oxygen(2-))
CID 161103726
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
CID 172729585
2-hydroxypropane-1,2,3-tricarboxylic acid;manganese
CID 90472972
2-hydroxypropane-1,2,3-tricarboxylic acid;tungsten
CID 89401463
hydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 158473512
silver 2-hydroxypropane-1,2,3-tricarboxylic acid
CID 11587493
CID 24997986
CID 24997986
CID 173004565
CID 173004565
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);iron
CID 163216326
2-hydroxypropane-1,2,3-tricarboxylic acid;molybdenum
CID 56836802
carbonic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 87148662
2-hydroxypropane-1,2,3-tricarboxylic acid;rhodium(2+)
CID 10469750

Frequently Asked Questions

What is the IUPAC name of acetylene;2-hydroxypropane-1,2,3-tricarboxylic acid?
The IUPAC name of acetylene;2-hydroxypropane-1,2,3-tricarboxylic acid (CID 159654309) is acetylene;2-hydroxypropane-1,2,3-tricarboxylic acid.
What is the SMILES notation for acetylene;2-hydroxypropane-1,2,3-tricarboxylic acid?
The canonical SMILES for acetylene;2-hydroxypropane-1,2,3-tricarboxylic acid is C#C.O=C(O)CC(O)(CC(=O)O)C(=O)O.
What is the InChIKey of acetylene;2-hydroxypropane-1,2,3-tricarboxylic acid?
The InChIKey is MRZDFRGQAMWSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.C2H2/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-2H.
What are the key properties of acetylene;2-hydroxypropane-1,2,3-tricarboxylic acid?
acetylene;2-hydroxypropane-1,2,3-tricarboxylic acid has a molecular weight of 218.16 g/mol, XLogP of -1.00, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;2-hydroxypropane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 159654309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).