acetic acid;boric acid;phosphoric acid

C2H10BO9P — CID 87603832

IUPACacetic acid;boric acid;phosphoric acid
SMILESCC(=O)O.O=P(O)(O)O.OB(O)O
InChIInChI=1S/C2H4O2.BH3O3.H3O4P/c1-2(3)4;2-1(3)4;1-5(2,3)4/h1H3,(H,3,4);2-4H;(H3,1,2,3,4)
InChIKeyPFTCBBOADJQVTP-UHFFFAOYSA-N
MW219.88 g/mol
LogP-2.89
Rot. Bonds

About acetic acid;boric acid;phosphoric acid

acetic acid;boric acid;phosphoric acid (PubChem CID 87603832) has the molecular formula C2H10BO9P and a molecular weight of 219.88 g/mol. Its IUPAC name is acetic acid;boric acid;phosphoric acid.

Molecular Properties

Compound Nameacetic acid;boric acid;phosphoric acid
PubChem CID87603832
Molecular FormulaC2H10BO9P
Molecular Weight219.88 g/mol
Exact Mass220.02
IUPAC Nameacetic acid;boric acid;phosphoric acid
SMILESCC(=O)O.O=P(O)(O)O.OB(O)O
InChIInChI=1S/C2H4O2.BH3O3.H3O4P/c1-2(3)4;2-1(3)4;1-5(2,3)4/h1H3,(H,3,4);2-4H;(H3,1,2,3,4)
InChIKeyPFTCBBOADJQVTP-UHFFFAOYSA-N
XLogP-2.89
TPSA175.75 Ų
H-Bond Donors7
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500219.88
LogP ≤ 5-2.89
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

boric acid;carbonic acid;phosphoric acid
CID 160607615
acetic acid;cobalt;phosphoric acid
CID 174842184
potassium;acetic acid;hydride;phosphoric acid
CID 173226797
acetic acid;azane;phosphoric acid;zinc
CID 174918986
acetic acid;boric acid;zinc
CID 87325591
tetrasodium;acetic acid;azane;hydride;phosphoric acid
CID 173436604
boric acid;phosphoric acid;hydrate
CID 172863992
acetic acid;ethane-1,2-diol;phosphoric acid
CID 161248313
acetic acid;phosphoric acid;propanoic acid
CID 162090044
acetic acid;phosphono dihydrogen phosphate;phosphoric acid
CID 88733603
methanol;phosphoric acid;propan-2-one
CID 134563724
calcium;acetic acid;hydrogen phosphate
CID 155194224

Frequently Asked Questions

What is the IUPAC name of acetic acid;boric acid;phosphoric acid?
The IUPAC name of acetic acid;boric acid;phosphoric acid (CID 87603832) is acetic acid;boric acid;phosphoric acid.
What is the SMILES notation for acetic acid;boric acid;phosphoric acid?
The canonical SMILES for acetic acid;boric acid;phosphoric acid is CC(=O)O.O=P(O)(O)O.OB(O)O.
What is the InChIKey of acetic acid;boric acid;phosphoric acid?
The InChIKey is PFTCBBOADJQVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.BH3O3.H3O4P/c1-2(3)4;2-1(3)4;1-5(2,3)4/h1H3,(H,3,4);2-4H;(H3,1,2,3,4).
What are the key properties of acetic acid;boric acid;phosphoric acid?
acetic acid;boric acid;phosphoric acid has a molecular weight of 219.88 g/mol, XLogP of -2.89, 0 rotatable bonds, 7 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;boric acid;phosphoric acid is sourced from PubChem (CID 87603832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).