carbonic acid;phenylphosphane

C7H9O3P — CID 173309106

IUPACcarbonic acid;phenylphosphane
SMILESO=C(O)O.Pc1ccccc1
InChIInChI=1S/C6H7P.CH2O3/c7-6-4-2-1-3-5-6;2-1(3)4/h1-5H,7H2;(H2,2,3,4)
InChIKeyGVXIGNHDKGZTGX-UHFFFAOYSA-N
MW172.12 g/mol
LogP1.41
Rot. Bonds

About carbonic acid;phenylphosphane

carbonic acid;phenylphosphane (PubChem CID 173309106) has the molecular formula C7H9O3P and a molecular weight of 172.12 g/mol. Its IUPAC name is carbonic acid;phenylphosphane.

Molecular Properties

Compound Namecarbonic acid;phenylphosphane
PubChem CID173309106
Molecular FormulaC7H9O3P
Molecular Weight172.12 g/mol
Exact Mass172.03
IUPAC Namecarbonic acid;phenylphosphane
SMILESO=C(O)O.Pc1ccccc1
InChIInChI=1S/C6H7P.CH2O3/c7-6-4-2-1-3-5-6;2-1(3)4/h1-5H,7H2;(H2,2,3,4)
InChIKeyGVXIGNHDKGZTGX-UHFFFAOYSA-N
XLogP1.41
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.12
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;phenylphosphane?
The IUPAC name of carbonic acid;phenylphosphane (CID 173309106) is carbonic acid;phenylphosphane.
What is the SMILES notation for carbonic acid;phenylphosphane?
The canonical SMILES for carbonic acid;phenylphosphane is O=C(O)O.Pc1ccccc1.
What is the InChIKey of carbonic acid;phenylphosphane?
The InChIKey is GVXIGNHDKGZTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7P.CH2O3/c7-6-4-2-1-3-5-6;2-1(3)4/h1-5H,7H2;(H2,2,3,4).
What are the key properties of carbonic acid;phenylphosphane?
carbonic acid;phenylphosphane has a molecular weight of 172.12 g/mol, XLogP of 1.41, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;phenylphosphane is sourced from PubChem (CID 173309106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).