2-hydroxypropanoic acid;propanedioic acid

C6H10O7 — CID 87923632

IUPAC2-hydroxypropanoic acid;propanedioic acid
SMILESCC(O)C(=O)O.O=C(O)CC(=O)O
InChIInChI=1S/C3H4O4.C3H6O3/c4-2(5)1-3(6)7;1-2(4)3(5)6/h1H2,(H,4,5)(H,6,7);2,4H,1H3,(H,5,6)
InChIKeySXQREZRERSGLSN-UHFFFAOYSA-N
MW194.14 g/mol
LogP-1.00
Rot. Bonds3

About 2-hydroxypropanoic acid;propanedioic acid

2-hydroxypropanoic acid;propanedioic acid (PubChem CID 87923632) has the molecular formula C6H10O7 and a molecular weight of 194.14 g/mol. Its IUPAC name is 2-hydroxypropanoic acid;propanedioic acid.

Molecular Properties

Compound Name2-hydroxypropanoic acid;propanedioic acid
PubChem CID87923632
Molecular FormulaC6H10O7
Molecular Weight194.14 g/mol
Exact Mass194.04
IUPAC Name2-hydroxypropanoic acid;propanedioic acid
SMILESCC(O)C(=O)O.O=C(O)CC(=O)O
InChIInChI=1S/C3H4O4.C3H6O3/c4-2(5)1-3(6)7;1-2(4)3(5)6/h1H2,(H,4,5)(H,6,7);2,4H,1H3,(H,5,6)
InChIKeySXQREZRERSGLSN-UHFFFAOYSA-N
XLogP-1.00
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.14
LogP ≤ 5-1.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-hydroxypropanoic acid;propanedioic acid;propanoic acid
CID 172861837
2-hydroxypropanoic acid
CID 87075455
butanedioic acid;(Z)-but-2-enedioic acid;2-hydroxypropanoic acid;propanedioic acid
CID 173365167
2-hydroxypropanoic acid;propanoic acid
CID 175004384
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
CID 129137181
CID 129137181
2-hydroxypropanoic acid;tetrahydrate
CID 141343914
CID 11776805
CID 11776805

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropanoic acid;propanedioic acid?
The IUPAC name of 2-hydroxypropanoic acid;propanedioic acid (CID 87923632) is 2-hydroxypropanoic acid;propanedioic acid.
What is the SMILES notation for 2-hydroxypropanoic acid;propanedioic acid?
The canonical SMILES for 2-hydroxypropanoic acid;propanedioic acid is CC(O)C(=O)O.O=C(O)CC(=O)O.
What is the InChIKey of 2-hydroxypropanoic acid;propanedioic acid?
The InChIKey is SXQREZRERSGLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O4.C3H6O3/c4-2(5)1-3(6)7;1-2(4)3(5)6/h1H2,(H,4,5)(H,6,7);2,4H,1H3,(H,5,6).
What are the key properties of 2-hydroxypropanoic acid;propanedioic acid?
2-hydroxypropanoic acid;propanedioic acid has a molecular weight of 194.14 g/mol, XLogP of -1.00, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropanoic acid;propanedioic acid is sourced from PubChem (CID 87923632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).