methylbenzene;propanoic acid;zinc

C10H13O2Zn- — CID 175093711

IUPACmethylbenzene;propanoic acid;zinc
SMILESCCC(=O)O.Cc1[c-]cccc1.[Zn]
InChIInChI=1S/C7H7.C3H6O2.Zn/c1-7-5-3-2-4-6-7;1-2-3(4)5;/h2-5H,1H3;2H2,1H3,(H,4,5);/q-1;;
InChIKeyPMFLXRDTFZVUTD-UHFFFAOYSA-N
MW230.60 g/mol
LogP2.27
Rot. Bonds1

About methylbenzene;propanoic acid;zinc

methylbenzene;propanoic acid;zinc (PubChem CID 175093711) has the molecular formula C10H13O2Zn- and a molecular weight of 230.60 g/mol. Its IUPAC name is methylbenzene;propanoic acid;zinc.

Molecular Properties

Compound Namemethylbenzene;propanoic acid;zinc
PubChem CID175093711
Molecular FormulaC10H13O2Zn-
Molecular Weight230.60 g/mol
Exact Mass229.02
IUPAC Namemethylbenzene;propanoic acid;zinc
SMILESCCC(=O)O.Cc1[c-]cccc1.[Zn]
InChIInChI=1S/C7H7.C3H6O2.Zn/c1-7-5-3-2-4-6-7;1-2-3(4)5;/h2-5H,1H3;2H2,1H3,(H,4,5);/q-1;;
InChIKeyPMFLXRDTFZVUTD-UHFFFAOYSA-N
XLogP2.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.60
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methylbenzene;propanoic acid;zinc?
The IUPAC name of methylbenzene;propanoic acid;zinc (CID 175093711) is methylbenzene;propanoic acid;zinc.
What is the SMILES notation for methylbenzene;propanoic acid;zinc?
The canonical SMILES for methylbenzene;propanoic acid;zinc is CCC(=O)O.Cc1[c-]cccc1.[Zn].
What is the InChIKey of methylbenzene;propanoic acid;zinc?
The InChIKey is PMFLXRDTFZVUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7.C3H6O2.Zn/c1-7-5-3-2-4-6-7;1-2-3(4)5;/h2-5H,1H3;2H2,1H3,(H,4,5);/q-1;;.
What are the key properties of methylbenzene;propanoic acid;zinc?
methylbenzene;propanoic acid;zinc has a molecular weight of 230.60 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylbenzene;propanoic acid;zinc is sourced from PubChem (CID 175093711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).