carbonochloridic acid;prop-2-enyl dihydrogen phosphate

C4H8ClO6P — CID 174647685

IUPACcarbonochloridic acid;prop-2-enyl dihydrogen phosphate
SMILESC=CCOP(=O)(O)O.O=C(O)Cl
InChIInChI=1S/C3H7O4P.CHClO2/c1-2-3-7-8(4,5)6;2-1(3)4/h2H,1,3H2,(H2,4,5,6);(H,3,4)
InChIKeyHXLQHYWJSZFCKV-UHFFFAOYSA-N
MW218.53 g/mol
LogP1.18
Rot. Bonds3

About carbonochloridic acid;prop-2-enyl dihydrogen phosphate

carbonochloridic acid;prop-2-enyl dihydrogen phosphate (PubChem CID 174647685) has the molecular formula C4H8ClO6P and a molecular weight of 218.53 g/mol. Its IUPAC name is carbonochloridic acid;prop-2-enyl dihydrogen phosphate.

Molecular Properties

Compound Namecarbonochloridic acid;prop-2-enyl dihydrogen phosphate
PubChem CID174647685
Molecular FormulaC4H8ClO6P
Molecular Weight218.53 g/mol
Exact Mass217.97
IUPAC Namecarbonochloridic acid;prop-2-enyl dihydrogen phosphate
SMILESC=CCOP(=O)(O)O.O=C(O)Cl
InChIInChI=1S/C3H7O4P.CHClO2/c1-2-3-7-8(4,5)6;2-1(3)4/h2H,1,3H2,(H2,4,5,6);(H,3,4)
InChIKeyHXLQHYWJSZFCKV-UHFFFAOYSA-N
XLogP1.18
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.53
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methane;prop-2-enyl dihydrogen phosphate
CID 87755414
trisodium;hydride;phosphoric acid;prop-2-enyl dihydrogen phosphate
CID 174828958
2-(dimethylamino)propanoic acid;prop-2-enyl dihydrogen phosphate
CID 174397830
phenol;prop-2-enyl dihydrogen phosphate
CID 66654883
3,3-dichloroprop-2-enyl dihydrogen phosphate
CID 87692157
2-ethyl-2-[hydroxy(prop-2-enoxy)phosphoryl]butanoic acid
CID 87623083
2-bis(prop-2-enoxy)phosphorylprop-2-enoic acid
CID 19024375
disodium bis(carboxy(prop-2-enoxy)phosphinate)
CID 173451662
(3-phosphonooxy-1-prop-2-enoyloxyprop-1-enyl) prop-2-enoate
CID 87447167
methoxycarbonyl(prop-2-enoxy)phosphinic acid
CID 130449055
1-bis(prop-2-enoxy)phosphorylprop-2-en-1-one
CID 141060498
prop-2-enyl dihydrogen phosphate;bis(1-prop-2-enylimidazole)
CID 173050176

Frequently Asked Questions

What is the IUPAC name of carbonochloridic acid;prop-2-enyl dihydrogen phosphate?
The IUPAC name of carbonochloridic acid;prop-2-enyl dihydrogen phosphate (CID 174647685) is carbonochloridic acid;prop-2-enyl dihydrogen phosphate.
What is the SMILES notation for carbonochloridic acid;prop-2-enyl dihydrogen phosphate?
The canonical SMILES for carbonochloridic acid;prop-2-enyl dihydrogen phosphate is C=CCOP(=O)(O)O.O=C(O)Cl.
What is the InChIKey of carbonochloridic acid;prop-2-enyl dihydrogen phosphate?
The InChIKey is HXLQHYWJSZFCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O4P.CHClO2/c1-2-3-7-8(4,5)6;2-1(3)4/h2H,1,3H2,(H2,4,5,6);(H,3,4).
What are the key properties of carbonochloridic acid;prop-2-enyl dihydrogen phosphate?
carbonochloridic acid;prop-2-enyl dihydrogen phosphate has a molecular weight of 218.53 g/mol, XLogP of 1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonochloridic acid;prop-2-enyl dihydrogen phosphate is sourced from PubChem (CID 174647685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).