CID 175710332

C5H4CaO2 — CID 175710332

IUPAC—
SMILESO=Cc1ccco1.[Ca]
InChIInChI=1S/C5H4O2.Ca/c6-4-5-2-1-3-7-5;/h1-4H;
InChIKeyOYIYJCAQXDOGKQ-UHFFFAOYSA-N
MW136.16 g/mol
LogP0.71
Rot. Bonds1

About CID 175710332

CID 175710332 (PubChem CID 175710332) has the molecular formula C5H4CaO2 and a molecular weight of 136.16 g/mol.

Molecular Properties

Compound NameCID 175710332
PubChem CID175710332
Molecular FormulaC5H4CaO2
Molecular Weight136.16 g/mol
Exact Mass135.98
IUPAC Name—
SMILESO=Cc1ccco1.[Ca]
InChIInChI=1S/C5H4O2.Ca/c6-4-5-2-1-3-7-5;/h1-4H;
InChIKeyOYIYJCAQXDOGKQ-UHFFFAOYSA-N
XLogP0.71
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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formaldehyde;furan-2-carbaldehyde;propan-2-one
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CID 174905819
buta-1,3-diene;furan-2-carbaldehyde;prop-2-enenitrile
CID 88724069
cyclohexanol;furan-2-carbaldehyde
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ethoxymethoxymethoxyethane;furan-2-carbaldehyde
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Frequently Asked Questions

What is the IUPAC name of CID 175710332?
The IUPAC name of CID 175710332 (CID 175710332) is not available.
What is the SMILES notation for CID 175710332?
The canonical SMILES for CID 175710332 is O=Cc1ccco1.[Ca].
What is the InChIKey of CID 175710332?
The InChIKey is OYIYJCAQXDOGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O2.Ca/c6-4-5-2-1-3-7-5;/h1-4H;.
What are the key properties of CID 175710332?
CID 175710332 has a molecular weight of 136.16 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175710332 is sourced from PubChem (CID 175710332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).