acetylene;carbonic acid

C6H8O6 — CID 173128960

IUPACacetylene;carbonic acid
SMILESC#C.C#C.O=C(O)O.O=C(O)O
InChIInChI=1S/2C2H2.2CH2O3/c2*1-2;2*2-1(3)4/h2*1-2H;2*(H2,2,3,4)
InChIKeyBXSMOGSCZVCISC-UHFFFAOYSA-N
MW176.12 g/mol
LogP0.94
Rot. Bonds

About acetylene;carbonic acid

acetylene;carbonic acid (PubChem CID 173128960) has the molecular formula C6H8O6 and a molecular weight of 176.12 g/mol. Its IUPAC name is acetylene;carbonic acid.

Molecular Properties

Compound Nameacetylene;carbonic acid
PubChem CID173128960
Molecular FormulaC6H8O6
Molecular Weight176.12 g/mol
Exact Mass176.03
IUPAC Nameacetylene;carbonic acid
SMILESC#C.C#C.O=C(O)O.O=C(O)O
InChIInChI=1S/2C2H2.2CH2O3/c2*1-2;2*2-1(3)4/h2*1-2H;2*(H2,2,3,4)
InChIKeyBXSMOGSCZVCISC-UHFFFAOYSA-N
XLogP0.94
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.12
LogP ≤ 50.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 173032250
CID 173032250
carbonic acid;uranium
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CID 71309526
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CID 87161202

Frequently Asked Questions

What is the IUPAC name of acetylene;carbonic acid?
The IUPAC name of acetylene;carbonic acid (CID 173128960) is acetylene;carbonic acid.
What is the SMILES notation for acetylene;carbonic acid?
The canonical SMILES for acetylene;carbonic acid is C#C.C#C.O=C(O)O.O=C(O)O.
What is the InChIKey of acetylene;carbonic acid?
The InChIKey is BXSMOGSCZVCISC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H2.2CH2O3/c2*1-2;2*2-1(3)4/h2*1-2H;2*(H2,2,3,4).
What are the key properties of acetylene;carbonic acid?
acetylene;carbonic acid has a molecular weight of 176.12 g/mol, XLogP of 0.94, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;carbonic acid is sourced from PubChem (CID 173128960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).