acetic acid;methylbenzene;tungsten(2+)

C9H10O2W — CID 140735464

IUPACacetic acid;methylbenzene;tungsten(2+)
SMILESCc1cc[c-]cc1.[CH2-]C(=O)O.[W+2]
InChIInChI=1S/C7H7.C2H3O2.W/c1-7-5-3-2-4-6-7;1-2(3)4;/h3-6H,1H3;1H2,(H,3,4);/q2*-1;+2
InChIKeyAWTZGDDHZLRVHI-UHFFFAOYSA-N
MW334.02 g/mol
LogP1.70
Rot. Bonds

About acetic acid;methylbenzene;tungsten(2+)

acetic acid;methylbenzene;tungsten(2+) (PubChem CID 140735464) has the molecular formula C9H10O2W and a molecular weight of 334.02 g/mol. Its IUPAC name is acetic acid;methylbenzene;tungsten(2+).

Molecular Properties

Compound Nameacetic acid;methylbenzene;tungsten(2+)
PubChem CID140735464
Molecular FormulaC9H10O2W
Molecular Weight334.02 g/mol
Exact Mass334.02
IUPAC Nameacetic acid;methylbenzene;tungsten(2+)
SMILESCc1cc[c-]cc1.[CH2-]C(=O)O.[W+2]
InChIInChI=1S/C7H7.C2H3O2.W/c1-7-5-3-2-4-6-7;1-2(3)4;/h3-6H,1H3;1H2,(H,3,4);/q2*-1;+2
InChIKeyAWTZGDDHZLRVHI-UHFFFAOYSA-N
XLogP1.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.02
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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ethane;methylbenzene;yttrium
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CID 160876865
methane;methylbenzene;yttrium
CID 158936681
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CID 87204624
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Frequently Asked Questions

What is the IUPAC name of acetic acid;methylbenzene;tungsten(2+)?
The IUPAC name of acetic acid;methylbenzene;tungsten(2+) (CID 140735464) is acetic acid;methylbenzene;tungsten(2+).
What is the SMILES notation for acetic acid;methylbenzene;tungsten(2+)?
The canonical SMILES for acetic acid;methylbenzene;tungsten(2+) is Cc1cc[c-]cc1.[CH2-]C(=O)O.[W+2].
What is the InChIKey of acetic acid;methylbenzene;tungsten(2+)?
The InChIKey is AWTZGDDHZLRVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7.C2H3O2.W/c1-7-5-3-2-4-6-7;1-2(3)4;/h3-6H,1H3;1H2,(H,3,4);/q2*-1;+2.
What are the key properties of acetic acid;methylbenzene;tungsten(2+)?
acetic acid;methylbenzene;tungsten(2+) has a molecular weight of 334.02 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;methylbenzene;tungsten(2+) is sourced from PubChem (CID 140735464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).