phosphenous acid;toluene;hydrate

C7H11O3P — CID 174646588

IUPACphosphenous acid;toluene;hydrate
SMILESCc1ccccc1.O.O=PO
InChIInChI=1S/C7H8.HO2P.H2O/c1-7-5-3-2-4-6-7;1-3-2;/h2-6H,1H3;(H,1,2);1H2
InChIKeyLAOPERYWLOQDFQ-UHFFFAOYSA-N
MW174.14 g/mol
LogP1.36
Rot. Bonds

About phosphenous acid;toluene;hydrate

phosphenous acid;toluene;hydrate (PubChem CID 174646588) has the molecular formula C7H11O3P and a molecular weight of 174.14 g/mol. Its IUPAC name is phosphenous acid;toluene;hydrate.

Molecular Properties

Compound Namephosphenous acid;toluene;hydrate
PubChem CID174646588
Molecular FormulaC7H11O3P
Molecular Weight174.14 g/mol
Exact Mass174.04
IUPAC Namephosphenous acid;toluene;hydrate
SMILESCc1ccccc1.O.O=PO
InChIInChI=1S/C7H8.HO2P.H2O/c1-7-5-3-2-4-6-7;1-3-2;/h2-6H,1H3;(H,1,2);1H2
InChIKeyLAOPERYWLOQDFQ-UHFFFAOYSA-N
XLogP1.36
TPSA68.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.14
LogP ≤ 51.36
H-Bond Donors ≤ 51
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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CID 88744725
toluene;hydrate
CID 22272177
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CID 158487474
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CID 101240530
titanium(2+);toluene
CID 22023820
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CID 174717666
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CID 160815635
oxozinc;toluene
CID 174379116
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CID 174524422
toluene;dihydrochloride
CID 66712893
iridium;toluene
CID 160574470

Frequently Asked Questions

What is the IUPAC name of phosphenous acid;toluene;hydrate?
The IUPAC name of phosphenous acid;toluene;hydrate (CID 174646588) is phosphenous acid;toluene;hydrate.
What is the SMILES notation for phosphenous acid;toluene;hydrate?
The canonical SMILES for phosphenous acid;toluene;hydrate is Cc1ccccc1.O.O=PO.
What is the InChIKey of phosphenous acid;toluene;hydrate?
The InChIKey is LAOPERYWLOQDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.HO2P.H2O/c1-7-5-3-2-4-6-7;1-3-2;/h2-6H,1H3;(H,1,2);1H2.
What are the key properties of phosphenous acid;toluene;hydrate?
phosphenous acid;toluene;hydrate has a molecular weight of 174.14 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phosphenous acid;toluene;hydrate is sourced from PubChem (CID 174646588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).