(Z)-3-chlorobut-2-enoic acid;gallane

C4H8ClGaO2 — CID 173230251

IUPAC(Z)-3-chlorobut-2-enoic acid;gallane
SMILESC/C(Cl)=C/C(=O)O.[GaH3]
InChIInChI=1S/C4H5ClO2.Ga.3H/c1-3(5)2-4(6)7;;;;/h2H,1H3,(H,6,7);;;;/b3-2-;;;;
InChIKeyPECSZTCFXAALOQ-RFTJRDPSSA-N
MW193.28 g/mol
LogP0.03
Rot. Bonds1

About (Z)-3-chlorobut-2-enoic acid;gallane

(Z)-3-chlorobut-2-enoic acid;gallane (PubChem CID 173230251) has the molecular formula C4H8ClGaO2 and a molecular weight of 193.28 g/mol. Its IUPAC name is (Z)-3-chlorobut-2-enoic acid;gallane.

Molecular Properties

Compound Name(Z)-3-chlorobut-2-enoic acid;gallane
PubChem CID173230251
Molecular FormulaC4H8ClGaO2
Molecular Weight193.28 g/mol
Exact Mass191.95
IUPAC Name(Z)-3-chlorobut-2-enoic acid;gallane
SMILESC/C(Cl)=C/C(=O)O.[GaH3]
InChIInChI=1S/C4H5ClO2.Ga.3H/c1-3(5)2-4(6)7;;;;/h2H,1H3,(H,6,7);;;;/b3-2-;;;;
InChIKeyPECSZTCFXAALOQ-RFTJRDPSSA-N
XLogP0.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-acetyloxy-3-chloroprop-2-enoic acid
CID 175140470
3-methylbut-2-enoic acid;propan-2-one
CID 174970520
azane;3-methylbut-2-enoic acid
CID 21422194
bis((Z)-3-chlorobut-2-enoate);mercury(2+)
CID 22603930
(Z)-3-chloro-N-ethylbut-2-enamide
CID 55286817
3-chloro-N,N-dimethylbut-2-enamide
CID 137318656
CID 139242674
CID 139242674
calcium;hydride;3-methylbut-2-enoic acid
CID 175564859
ethene;3-methylbut-2-enoic acid
CID 157400085
(2Z,4E,6Z)-3,6-dimethylocta-2,4,6-trienedioic acid
CID 134855099
(E)-4-fluoro-3-methylpent-2-enoic acid
CID 23234140
(E)-2,5-dichlorohex-4-en-3-one
CID 123840362

Frequently Asked Questions

What is the IUPAC name of (Z)-3-chlorobut-2-enoic acid;gallane?
The IUPAC name of (Z)-3-chlorobut-2-enoic acid;gallane (CID 173230251) is (Z)-3-chlorobut-2-enoic acid;gallane.
What is the SMILES notation for (Z)-3-chlorobut-2-enoic acid;gallane?
The canonical SMILES for (Z)-3-chlorobut-2-enoic acid;gallane is C/C(Cl)=C/C(=O)O.[GaH3].
What is the InChIKey of (Z)-3-chlorobut-2-enoic acid;gallane?
The InChIKey is PECSZTCFXAALOQ-RFTJRDPSSA-N. The full InChI is InChI=1S/C4H5ClO2.Ga.3H/c1-3(5)2-4(6)7;;;;/h2H,1H3,(H,6,7);;;;/b3-2-;;;;.
What are the key properties of (Z)-3-chlorobut-2-enoic acid;gallane?
(Z)-3-chlorobut-2-enoic acid;gallane has a molecular weight of 193.28 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-chlorobut-2-enoic acid;gallane is sourced from PubChem (CID 173230251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).