methyl dihydrogen phosphate;prop-2-enoic acid

C4H9O6P — CID 159593084

IUPACmethyl dihydrogen phosphate;prop-2-enoic acid
SMILESC=CC(=O)O.COP(=O)(O)O
InChIInChI=1S/C3H4O2.CH5O4P/c1-2-3(4)5;1-5-6(2,3)4/h2H,1H2,(H,4,5);1H3,(H2,2,3,4)
InChIKeyMKMGXYOYFMQUJS-UHFFFAOYSA-N
MW184.08 g/mol
LogP-0.02
Rot. Bonds2

About methyl dihydrogen phosphate;prop-2-enoic acid

methyl dihydrogen phosphate;prop-2-enoic acid (PubChem CID 159593084) has the molecular formula C4H9O6P and a molecular weight of 184.08 g/mol. Its IUPAC name is methyl dihydrogen phosphate;prop-2-enoic acid.

Molecular Properties

Compound Namemethyl dihydrogen phosphate;prop-2-enoic acid
PubChem CID159593084
Molecular FormulaC4H9O6P
Molecular Weight184.08 g/mol
Exact Mass184.01
IUPAC Namemethyl dihydrogen phosphate;prop-2-enoic acid
SMILESC=CC(=O)O.COP(=O)(O)O
InChIInChI=1S/C3H4O2.CH5O4P/c1-2-3(4)5;1-5-6(2,3)4/h2H,1H2,(H,4,5);1H3,(H2,2,3,4)
InChIKeyMKMGXYOYFMQUJS-UHFFFAOYSA-N
XLogP-0.02
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.08
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

methoxymethane;prop-2-enoic acid
CID 22665045
formaldehyde;bis(methyl dihydrogen phosphate)
CID 174780160
acetylene;phosphoric acid;prop-2-enoic acid
CID 175312819
carbanylium;methyl dihydrogen phosphate
CID 165007935
methanol;prop-2-enoic acid
CID 159043362
2,2-bis(hydroxymethyl)propane-1,3-diol;prop-2-enoic acid;trimethyl phosphate
CID 174679316
methanethiol;prop-2-enoic acid
CID 158379466
cobalt;methyl dihydrogen phosphate;nickel
CID 175031346
dipotassium;hydride;methyl dihydrogen phosphate
CID 174980148
bis(prop-1-ene);prop-2-enoic acid
CID 118194844
lutetium;tris(prop-2-enoic acid)
CID 168865611
prop-2-enoic acid;pentahydrobromide
CID 172798031

Frequently Asked Questions

What is the IUPAC name of methyl dihydrogen phosphate;prop-2-enoic acid?
The IUPAC name of methyl dihydrogen phosphate;prop-2-enoic acid (CID 159593084) is methyl dihydrogen phosphate;prop-2-enoic acid.
What is the SMILES notation for methyl dihydrogen phosphate;prop-2-enoic acid?
The canonical SMILES for methyl dihydrogen phosphate;prop-2-enoic acid is C=CC(=O)O.COP(=O)(O)O.
What is the InChIKey of methyl dihydrogen phosphate;prop-2-enoic acid?
The InChIKey is MKMGXYOYFMQUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2.CH5O4P/c1-2-3(4)5;1-5-6(2,3)4/h2H,1H2,(H,4,5);1H3,(H2,2,3,4).
What are the key properties of methyl dihydrogen phosphate;prop-2-enoic acid?
methyl dihydrogen phosphate;prop-2-enoic acid has a molecular weight of 184.08 g/mol, XLogP of -0.02, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl dihydrogen phosphate;prop-2-enoic acid is sourced from PubChem (CID 159593084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).