methyl prop-2-enoate;phosphoric acid

C4H12O10P2 — CID 174689976

IUPACmethyl prop-2-enoate;phosphoric acid
SMILESC=CC(=O)OC.O=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/C4H6O2.2H3O4P/c1-3-4(5)6-2;2*1-5(2,3)4/h3H,1H2,2H3;2*(H3,1,2,3,4)
InChIKeyHYCSMVZELMQICZ-UHFFFAOYSA-N
MW282.08 g/mol
LogP-1.51
Rot. Bonds1

About methyl prop-2-enoate;phosphoric acid

methyl prop-2-enoate;phosphoric acid (PubChem CID 174689976) has the molecular formula C4H12O10P2 and a molecular weight of 282.08 g/mol. Its IUPAC name is methyl prop-2-enoate;phosphoric acid.

Molecular Properties

Compound Namemethyl prop-2-enoate;phosphoric acid
PubChem CID174689976
Molecular FormulaC4H12O10P2
Molecular Weight282.08 g/mol
Exact Mass281.99
IUPAC Namemethyl prop-2-enoate;phosphoric acid
SMILESC=CC(=O)OC.O=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/C4H6O2.2H3O4P/c1-3-4(5)6-2;2*1-5(2,3)4/h3H,1H2,2H3;2*(H3,1,2,3,4)
InChIKeyHYCSMVZELMQICZ-UHFFFAOYSA-N
XLogP-1.51
TPSA181.82 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.08
LogP ≤ 5-1.51
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 174834920
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CID 174920800
bis(methyl prop-2-enoate);propane
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dimethyltin;methyl prop-2-enoate
CID 174578648
ethyl dihydrogen phosphate;methyl prop-2-enoate
CID 158276127
methyl prop-2-enoate;propyl dihydrogen phosphate
CID 174452884
methyl prop-2-enoate;sulfuric acid
CID 174506127
diiodolead;methyl prop-2-enoate
CID 175762695
benzene;ethene;methyl prop-2-enoate
CID 174897686
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CID 159119515
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CID 157183952

Frequently Asked Questions

What is the IUPAC name of methyl prop-2-enoate;phosphoric acid?
The IUPAC name of methyl prop-2-enoate;phosphoric acid (CID 174689976) is methyl prop-2-enoate;phosphoric acid.
What is the SMILES notation for methyl prop-2-enoate;phosphoric acid?
The canonical SMILES for methyl prop-2-enoate;phosphoric acid is C=CC(=O)OC.O=P(O)(O)O.O=P(O)(O)O.
What is the InChIKey of methyl prop-2-enoate;phosphoric acid?
The InChIKey is HYCSMVZELMQICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.2H3O4P/c1-3-4(5)6-2;2*1-5(2,3)4/h3H,1H2,2H3;2*(H3,1,2,3,4).
What are the key properties of methyl prop-2-enoate;phosphoric acid?
methyl prop-2-enoate;phosphoric acid has a molecular weight of 282.08 g/mol, XLogP of -1.51, 1 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl prop-2-enoate;phosphoric acid is sourced from PubChem (CID 174689976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).