CID 87914499

CH4O7 — CID 87914499

IUPAC—
SMILESO=C(O)O.OOOO
InChIInChI=1S/CH2O3.H2O4/c2-1(3)4;1-3-4-2/h(H2,2,3,4);1-2H
InChIKeyNAEJLPKEYZOFQQ-UHFFFAOYSA-N
MW128.04 g/mol
LogP0.10
Rot. Bonds1

About CID 87914499

CID 87914499 (PubChem CID 87914499) has the molecular formula CH4O7 and a molecular weight of 128.04 g/mol.

Molecular Properties

Compound NameCID 87914499
PubChem CID87914499
Molecular FormulaCH4O7
Molecular Weight128.04 g/mol
Exact Mass128.00
IUPAC Name—
SMILESO=C(O)O.OOOO
InChIInChI=1S/CH2O3.H2O4/c2-1(3)4;1-3-4-2/h(H2,2,3,4);1-2H
InChIKeyNAEJLPKEYZOFQQ-UHFFFAOYSA-N
XLogP0.10
TPSA116.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.04
LogP ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 87914499?
The IUPAC name of CID 87914499 (CID 87914499) is not available.
What is the SMILES notation for CID 87914499?
The canonical SMILES for CID 87914499 is O=C(O)O.OOOO.
What is the InChIKey of CID 87914499?
The InChIKey is NAEJLPKEYZOFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O3.H2O4/c2-1(3)4;1-3-4-2/h(H2,2,3,4);1-2H.
What are the key properties of CID 87914499?
CID 87914499 has a molecular weight of 128.04 g/mol, XLogP of 0.10, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87914499 is sourced from PubChem (CID 87914499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).