CID 87090001

CH2Na2O3 — CID 87090001

IUPAC—
SMILESO=C(O)O.[Na].[Na]
InChIInChI=1S/CH2O3.2Na/c2-1(3)4;;/h(H2,2,3,4);;
InChIKeyRRQYGDABVATUBZ-UHFFFAOYSA-N
MW108.00 g/mol
LogP-0.54
Rot. Bonds

About CID 87090001

CID 87090001 (PubChem CID 87090001) has the molecular formula CH2Na2O3 and a molecular weight of 108.00 g/mol.

Molecular Properties

Compound NameCID 87090001
PubChem CID87090001
Molecular FormulaCH2Na2O3
Molecular Weight108.00 g/mol
Exact Mass107.98
IUPAC Name—
SMILESO=C(O)O.[Na].[Na]
InChIInChI=1S/CH2O3.2Na/c2-1(3)4;;/h(H2,2,3,4);;
InChIKeyRRQYGDABVATUBZ-UHFFFAOYSA-N
XLogP-0.54
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.00
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 87090001?
The IUPAC name of CID 87090001 (CID 87090001) is not available.
What is the SMILES notation for CID 87090001?
The canonical SMILES for CID 87090001 is O=C(O)O.[Na].[Na].
What is the InChIKey of CID 87090001?
The InChIKey is RRQYGDABVATUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O3.2Na/c2-1(3)4;;/h(H2,2,3,4);;.
What are the key properties of CID 87090001?
CID 87090001 has a molecular weight of 108.00 g/mol, XLogP of -0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87090001 is sourced from PubChem (CID 87090001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).