chloromethane;chromium;prop-2-enoic acid

C4H7ClCrO2 — CID 174311629

IUPACchloromethane;chromium;prop-2-enoic acid
SMILESC=CC(=O)O.CCl.[Cr]
InChIInChI=1S/C3H4O2.CH3Cl.Cr/c1-2-3(4)5;1-2;/h2H,1H2,(H,4,5);1H3;
InChIKeyJNPJSYRKOCXDKP-UHFFFAOYSA-N
MW174.55 g/mol
LogP1.11
Rot. Bonds1

About chloromethane;chromium;prop-2-enoic acid

chloromethane;chromium;prop-2-enoic acid (PubChem CID 174311629) has the molecular formula C4H7ClCrO2 and a molecular weight of 174.55 g/mol. Its IUPAC name is chloromethane;chromium;prop-2-enoic acid.

Molecular Properties

Compound Namechloromethane;chromium;prop-2-enoic acid
PubChem CID174311629
Molecular FormulaC4H7ClCrO2
Molecular Weight174.55 g/mol
Exact Mass173.95
IUPAC Namechloromethane;chromium;prop-2-enoic acid
SMILESC=CC(=O)O.CCl.[Cr]
InChIInChI=1S/C3H4O2.CH3Cl.Cr/c1-2-3(4)5;1-2;/h2H,1H2,(H,4,5);1H3;
InChIKeyJNPJSYRKOCXDKP-UHFFFAOYSA-N
XLogP1.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.55
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enoic acid;2,2,2-trichloroacetic acid
CID 3054261
methanol;prop-2-enoic acid
CID 159043362
ethane-1,1,1-triol;tris(prop-2-enoic acid)
CID 159443056
chloromethane;N-methyl-N-prop-2-enylprop-2-en-1-amine;prop-2-enoic acid
CID 22495089
methanethiol;prop-2-enoic acid
CID 158379466
bis(prop-1-ene);prop-2-enoic acid
CID 118194844
carbonochloridic acid;prop-2-enoic acid
CID 159375670
azane;prop-2-enoic acid
CID 173158019
prop-2-enoic acid;hexahydrate
CID 172682107
prop-2-enoic acid;hydrochloride
CID 22354205
bis(prop-2-enoic acid);hydrochloride
CID 88811054
CID 87061462
CID 87061462

Frequently Asked Questions

What is the IUPAC name of chloromethane;chromium;prop-2-enoic acid?
The IUPAC name of chloromethane;chromium;prop-2-enoic acid (CID 174311629) is chloromethane;chromium;prop-2-enoic acid.
What is the SMILES notation for chloromethane;chromium;prop-2-enoic acid?
The canonical SMILES for chloromethane;chromium;prop-2-enoic acid is C=CC(=O)O.CCl.[Cr].
What is the InChIKey of chloromethane;chromium;prop-2-enoic acid?
The InChIKey is JNPJSYRKOCXDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2.CH3Cl.Cr/c1-2-3(4)5;1-2;/h2H,1H2,(H,4,5);1H3;.
What are the key properties of chloromethane;chromium;prop-2-enoic acid?
chloromethane;chromium;prop-2-enoic acid has a molecular weight of 174.55 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;chromium;prop-2-enoic acid is sourced from PubChem (CID 174311629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).