dicarboxy carbonate

C3H2O7 — CID 18671322

IUPACdicarboxy carbonate
SMILESO=C(O)OC(=O)OC(=O)O
InChIInChI=1S/C3H2O7/c4-1(5)9-3(8)10-2(6)7/h(H,4,5)(H,6,7)
InChIKeySYHPANJAVIEQQL-UHFFFAOYSA-N
MW150.04 g/mol
LogP0.50
Rot. Bonds

About dicarboxy carbonate

dicarboxy carbonate (PubChem CID 18671322) has the molecular formula C3H2O7 and a molecular weight of 150.04 g/mol. Its IUPAC name is dicarboxy carbonate.

Molecular Properties

Compound Namedicarboxy carbonate
PubChem CID18671322
Molecular FormulaC3H2O7
Molecular Weight150.04 g/mol
Exact Mass149.98
IUPAC Namedicarboxy carbonate
SMILESO=C(O)OC(=O)OC(=O)O
InChIInChI=1S/C3H2O7/c4-1(5)9-3(8)10-2(6)7/h(H,4,5)(H,6,7)
InChIKeySYHPANJAVIEQQL-UHFFFAOYSA-N
XLogP0.50
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.04
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dicarboxy carbonate?
The IUPAC name of dicarboxy carbonate (CID 18671322) is dicarboxy carbonate.
What is the SMILES notation for dicarboxy carbonate?
The canonical SMILES for dicarboxy carbonate is O=C(O)OC(=O)OC(=O)O.
What is the InChIKey of dicarboxy carbonate?
The InChIKey is SYHPANJAVIEQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2O7/c4-1(5)9-3(8)10-2(6)7/h(H,4,5)(H,6,7).
What are the key properties of dicarboxy carbonate?
dicarboxy carbonate has a molecular weight of 150.04 g/mol, XLogP of 0.50, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dicarboxy carbonate is sourced from PubChem (CID 18671322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).