2-hydroxypropanoic acid;propanoic acid

C9H18O7 — CID 175004384

IUPAC2-hydroxypropanoic acid;propanoic acid
SMILESCC(O)C(=O)O.CCC(=O)O.CCC(=O)O
InChIInChI=1S/C3H6O3.2C3H6O2/c1-2(4)3(5)6;2*1-2-3(4)5/h2,4H,1H3,(H,5,6);2*2H2,1H3,(H,4,5)
InChIKeyRRIFSPBXRIOMRX-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.41
Rot. Bonds3

About 2-hydroxypropanoic acid;propanoic acid

2-hydroxypropanoic acid;propanoic acid (PubChem CID 175004384) has the molecular formula C9H18O7 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-hydroxypropanoic acid;propanoic acid.

Molecular Properties

Compound Name2-hydroxypropanoic acid;propanoic acid
PubChem CID175004384
Molecular FormulaC9H18O7
Molecular Weight238.24 g/mol
Exact Mass238.11
IUPAC Name2-hydroxypropanoic acid;propanoic acid
SMILESCC(O)C(=O)O.CCC(=O)O.CCC(=O)O
InChIInChI=1S/C3H6O3.2C3H6O2/c1-2(4)3(5)6;2*1-2-3(4)5/h2,4H,1H3,(H,5,6);2*2H2,1H3,(H,4,5)
InChIKeyRRIFSPBXRIOMRX-UHFFFAOYSA-N
XLogP0.41
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxypropanoic acid;propanedioic acid;propanoic acid
CID 172861837
2-hydroxypropanoic acid
CID 87075455
2-hydroxypropanoic acid;propanedioic acid
CID 87923632
ethanol;2-hydroxypropanoic acid;zinc
CID 162356174
2-methylpropanoic acid;propanoic acid;zirconium
CID 175540566
CID 131877347
CID 131877347
bis(2-hydroxypropanoic acid);titanium
CID 173417954
2-hydroxypropanoic acid;mercury
CID 88512020
calcium hexakis(2-hydroxypropanoic acid)
CID 162368187
CID 123133976
CID 123133976
tetrakis(2-hydroxypropanoic acid);manganese
CID 167442579
CID 11776805
CID 11776805

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropanoic acid;propanoic acid?
The IUPAC name of 2-hydroxypropanoic acid;propanoic acid (CID 175004384) is 2-hydroxypropanoic acid;propanoic acid.
What is the SMILES notation for 2-hydroxypropanoic acid;propanoic acid?
The canonical SMILES for 2-hydroxypropanoic acid;propanoic acid is CC(O)C(=O)O.CCC(=O)O.CCC(=O)O.
What is the InChIKey of 2-hydroxypropanoic acid;propanoic acid?
The InChIKey is RRIFSPBXRIOMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3.2C3H6O2/c1-2(4)3(5)6;2*1-2-3(4)5/h2,4H,1H3,(H,5,6);2*2H2,1H3,(H,4,5).
What are the key properties of 2-hydroxypropanoic acid;propanoic acid?
2-hydroxypropanoic acid;propanoic acid has a molecular weight of 238.24 g/mol, XLogP of 0.41, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropanoic acid;propanoic acid is sourced from PubChem (CID 175004384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).