acetylene;phosphoric acid;prop-2-enoic acid

C5H9O6P — CID 175312819

IUPACacetylene;phosphoric acid;prop-2-enoic acid
SMILESC#C.C=CC(=O)O.O=P(O)(O)O
InChIInChI=1S/C3H4O2.C2H2.H3O4P/c1-2-3(4)5;1-2;1-5(2,3)4/h2H,1H2,(H,4,5);1-2H;(H3,1,2,3,4)
InChIKeyOCTYKEGVZFRTRZ-UHFFFAOYSA-N
MW196.09 g/mol
LogP-0.42
Rot. Bonds1

About acetylene;phosphoric acid;prop-2-enoic acid

acetylene;phosphoric acid;prop-2-enoic acid (PubChem CID 175312819) has the molecular formula C5H9O6P and a molecular weight of 196.09 g/mol. Its IUPAC name is acetylene;phosphoric acid;prop-2-enoic acid.

Molecular Properties

Compound Nameacetylene;phosphoric acid;prop-2-enoic acid
PubChem CID175312819
Molecular FormulaC5H9O6P
Molecular Weight196.09 g/mol
Exact Mass196.01
IUPAC Nameacetylene;phosphoric acid;prop-2-enoic acid
SMILESC#C.C=CC(=O)O.O=P(O)(O)O
InChIInChI=1S/C3H4O2.C2H2.H3O4P/c1-2-3(4)5;1-2;1-5(2,3)4/h2H,1H2,(H,4,5);1-2H;(H3,1,2,3,4)
InChIKeyOCTYKEGVZFRTRZ-UHFFFAOYSA-N
XLogP-0.42
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.09
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

acetylene;tetrakis(prop-2-enoic acid)
CID 159667354
2,2-bis(hydroxymethyl)propane-1,3-diol;phosphoric acid;prop-2-enoic acid
CID 175094924
Acrylic acid potassium salt
CID 87124626
prop-2-enoic acid;hydrochloride
CID 22354205
azane;prop-2-enoic acid
CID 173158019
prop-2-enoic acid;hexahydrate
CID 172682107
lutetium;tris(prop-2-enoic acid)
CID 168865611
iron(2+);prop-2-enoic acid
CID 10290804
cerium;bis(prop-2-enoic acid)
CID 169316659
bis(prop-2-enoic acid);hydrochloride
CID 88811054
CID 87061462
CID 87061462
prop-2-enoic acid;pentahydrobromide
CID 172798031

Frequently Asked Questions

What is the IUPAC name of acetylene;phosphoric acid;prop-2-enoic acid?
The IUPAC name of acetylene;phosphoric acid;prop-2-enoic acid (CID 175312819) is acetylene;phosphoric acid;prop-2-enoic acid.
What is the SMILES notation for acetylene;phosphoric acid;prop-2-enoic acid?
The canonical SMILES for acetylene;phosphoric acid;prop-2-enoic acid is C#C.C=CC(=O)O.O=P(O)(O)O.
What is the InChIKey of acetylene;phosphoric acid;prop-2-enoic acid?
The InChIKey is OCTYKEGVZFRTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2.C2H2.H3O4P/c1-2-3(4)5;1-2;1-5(2,3)4/h2H,1H2,(H,4,5);1-2H;(H3,1,2,3,4).
What are the key properties of acetylene;phosphoric acid;prop-2-enoic acid?
acetylene;phosphoric acid;prop-2-enoic acid has a molecular weight of 196.09 g/mol, XLogP of -0.42, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;phosphoric acid;prop-2-enoic acid is sourced from PubChem (CID 175312819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).