carbonochloridic acid;prop-2-enoic acid

C4H5ClO4 — CID 159375670

IUPACcarbonochloridic acid;prop-2-enoic acid
SMILESC=CC(=O)O.O=C(O)Cl
InChIInChI=1S/C3H4O2.CHClO2/c1-2-3(4)5;2-1(3)4/h2H,1H2,(H,4,5);(H,3,4)
InChIKeyLKGZVFAMSMUFRU-UHFFFAOYSA-N
MW152.53 g/mol
LogP1.16
Rot. Bonds1

About carbonochloridic acid;prop-2-enoic acid

carbonochloridic acid;prop-2-enoic acid (PubChem CID 159375670) has the molecular formula C4H5ClO4 and a molecular weight of 152.53 g/mol. Its IUPAC name is carbonochloridic acid;prop-2-enoic acid.

Molecular Properties

Compound Namecarbonochloridic acid;prop-2-enoic acid
PubChem CID159375670
Molecular FormulaC4H5ClO4
Molecular Weight152.53 g/mol
Exact Mass151.99
IUPAC Namecarbonochloridic acid;prop-2-enoic acid
SMILESC=CC(=O)O.O=C(O)Cl
InChIInChI=1S/C3H4O2.CHClO2/c1-2-3(4)5;2-1(3)4/h2H,1H2,(H,4,5);(H,3,4)
InChIKeyLKGZVFAMSMUFRU-UHFFFAOYSA-N
XLogP1.16
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.53
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Acrylic acid potassium salt
CID 87124626
prop-2-enoic acid;hydrochloride
CID 22354205
iron(2+);prop-2-enoic acid
CID 10290804
CID 87061462
CID 87061462
cerium;bis(prop-2-enoic acid)
CID 169316659
bis(prop-2-enoic acid);hydrochloride
CID 88811054
azane;prop-2-enoic acid
CID 173158019
prop-2-enoic acid;hexahydrate
CID 172682107
lutetium;tris(prop-2-enoic acid)
CID 168865611
prop-2-enoic acid;pentahydrobromide
CID 172798031
dichloromethane;prop-2-enoic acid
CID 87132958
chloromethane;chromium;prop-2-enoic acid
CID 174311629

Frequently Asked Questions

What is the IUPAC name of carbonochloridic acid;prop-2-enoic acid?
The IUPAC name of carbonochloridic acid;prop-2-enoic acid (CID 159375670) is carbonochloridic acid;prop-2-enoic acid.
What is the SMILES notation for carbonochloridic acid;prop-2-enoic acid?
The canonical SMILES for carbonochloridic acid;prop-2-enoic acid is C=CC(=O)O.O=C(O)Cl.
What is the InChIKey of carbonochloridic acid;prop-2-enoic acid?
The InChIKey is LKGZVFAMSMUFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2.CHClO2/c1-2-3(4)5;2-1(3)4/h2H,1H2,(H,4,5);(H,3,4).
What are the key properties of carbonochloridic acid;prop-2-enoic acid?
carbonochloridic acid;prop-2-enoic acid has a molecular weight of 152.53 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonochloridic acid;prop-2-enoic acid is sourced from PubChem (CID 159375670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).