CID 87134255

C3H7NaO3P — CID 87134255

IUPAC—
SMILESC=C(C)P(=O)(O)O.[Na]
InChIInChI=1S/C3H7O3P.Na/c1-3(2)7(4,5)6;/h1H2,2H3,(H2,4,5,6);
InChIKeyOCXXQZJKTJBWDJ-UHFFFAOYSA-N
MW145.05 g/mol
LogP0.32
Rot. Bonds1

About CID 87134255

CID 87134255 (PubChem CID 87134255) has the molecular formula C3H7NaO3P and a molecular weight of 145.05 g/mol.

Molecular Properties

Compound NameCID 87134255
PubChem CID87134255
Molecular FormulaC3H7NaO3P
Molecular Weight145.05 g/mol
Exact Mass145.00
IUPAC Name—
SMILESC=C(C)P(=O)(O)O.[Na]
InChIInChI=1S/C3H7O3P.Na/c1-3(2)7(4,5)6;/h1H2,2H3,(H2,4,5,6);
InChIKeyOCXXQZJKTJBWDJ-UHFFFAOYSA-N
XLogP0.32
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.05
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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methylphosphonic acid;uranium
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methylphosphonic acid;dihydrochloride
CID 87344491
methylphosphonic acid;trimethylphosphane;hydroiodide
CID 175283104
CID 159816390
CID 159816390
Sodium phosphate dibasic, p.a.
CID 86587427
methanol;2-methylprop-2-enoic acid;phosphoric acid
CID 163792236
phosphoric acid;prop-1-ene-2-sulfonic acid
CID 174589208
bis(2-methylprop-2-enamide);phosphoric acid
CID 87675275

Frequently Asked Questions

What is the IUPAC name of CID 87134255?
The IUPAC name of CID 87134255 (CID 87134255) is not available.
What is the SMILES notation for CID 87134255?
The canonical SMILES for CID 87134255 is C=C(C)P(=O)(O)O.[Na].
What is the InChIKey of CID 87134255?
The InChIKey is OCXXQZJKTJBWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O3P.Na/c1-3(2)7(4,5)6;/h1H2,2H3,(H2,4,5,6);.
What are the key properties of CID 87134255?
CID 87134255 has a molecular weight of 145.05 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87134255 is sourced from PubChem (CID 87134255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).