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

C12H14O7 — CID 67072471

IUPACbenzene;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.c1ccccc1
InChIInChI=1S/C6H8O7.C6H6/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2-4-6-5-3-1/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-6H
InChIKeyCLZOBQOXFDVUHS-UHFFFAOYSA-N
MW270.24 g/mol
LogP0.44
Rot. Bonds5

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

benzene;2-hydroxypropane-1,2,3-tricarboxylic acid (PubChem CID 67072471) has the molecular formula C12H14O7 and a molecular weight of 270.24 g/mol. Its IUPAC name is benzene;2-hydroxypropane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Namebenzene;2-hydroxypropane-1,2,3-tricarboxylic acid
PubChem CID67072471
Molecular FormulaC12H14O7
Molecular Weight270.24 g/mol
Exact Mass270.07
IUPAC Namebenzene;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.c1ccccc1
InChIInChI=1S/C6H8O7.C6H6/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2-4-6-5-3-1/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-6H
InChIKeyCLZOBQOXFDVUHS-UHFFFAOYSA-N
XLogP0.44
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzene;2-hydroxypropane-1,2,3-tricarboxylic acid?
The IUPAC name of benzene;2-hydroxypropane-1,2,3-tricarboxylic acid (CID 67072471) is benzene;2-hydroxypropane-1,2,3-tricarboxylic acid.
What is the SMILES notation for benzene;2-hydroxypropane-1,2,3-tricarboxylic acid?
The canonical SMILES for benzene;2-hydroxypropane-1,2,3-tricarboxylic acid is O=C(O)CC(O)(CC(=O)O)C(=O)O.c1ccccc1.
What is the InChIKey of benzene;2-hydroxypropane-1,2,3-tricarboxylic acid?
The InChIKey is CLZOBQOXFDVUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.C6H6/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2-4-6-5-3-1/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-6H.
What are the key properties of benzene;2-hydroxypropane-1,2,3-tricarboxylic acid?
benzene;2-hydroxypropane-1,2,3-tricarboxylic acid has a molecular weight of 270.24 g/mol, XLogP of 0.44, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2-hydroxypropane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 67072471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).