CID 162300786

CH2CaO3 — CID 162300786

IUPAC—
SMILESO.O=C=O.[Ca]
InChIInChI=1S/CO2.Ca.H2O/c2-1-3;;/h;;1H2
InChIKeyQKKGKFUCAJTDOF-UHFFFAOYSA-N
MW102.10 g/mol
LogP-1.79
Rot. Bonds

About CID 162300786

CID 162300786 (PubChem CID 162300786) has the molecular formula CH2CaO3 and a molecular weight of 102.10 g/mol.

Molecular Properties

Compound NameCID 162300786
PubChem CID162300786
Molecular FormulaCH2CaO3
Molecular Weight102.10 g/mol
Exact Mass101.96
IUPAC Name—
SMILESO.O=C=O.[Ca]
InChIInChI=1S/CO2.Ca.H2O/c2-1-3;;/h;;1H2
InChIKeyQKKGKFUCAJTDOF-UHFFFAOYSA-N
XLogP-1.79
TPSA65.64 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.10
LogP ≤ 5-1.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 162300786?
The IUPAC name of CID 162300786 (CID 162300786) is not available.
What is the SMILES notation for CID 162300786?
The canonical SMILES for CID 162300786 is O.O=C=O.[Ca].
What is the InChIKey of CID 162300786?
The InChIKey is QKKGKFUCAJTDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/CO2.Ca.H2O/c2-1-3;;/h;;1H2.
What are the key properties of CID 162300786?
CID 162300786 has a molecular weight of 102.10 g/mol, XLogP of -1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162300786 is sourced from PubChem (CID 162300786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).