acetic acid;1,1'-biphenyl;zinc

C14H14O2Zn — CID 70522083

IUPACacetic acid;1,1'-biphenyl;zinc
SMILESCC(=O)O.[Zn].c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C2H4O2.Zn/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2(3)4;/h1-10H;1H3,(H,3,4);
InChIKeyNXOGTLRMCXDXCJ-UHFFFAOYSA-N
MW279.65 g/mol
LogP3.44
Rot. Bonds1

About acetic acid;1,1'-biphenyl;zinc

acetic acid;1,1'-biphenyl;zinc (PubChem CID 70522083) has the molecular formula C14H14O2Zn and a molecular weight of 279.65 g/mol. Its IUPAC name is acetic acid;1,1'-biphenyl;zinc.

Molecular Properties

Compound Nameacetic acid;1,1'-biphenyl;zinc
PubChem CID70522083
Molecular FormulaC14H14O2Zn
Molecular Weight279.65 g/mol
Exact Mass278.03
IUPAC Nameacetic acid;1,1'-biphenyl;zinc
SMILESCC(=O)O.[Zn].c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C2H4O2.Zn/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2(3)4;/h1-10H;1H3,(H,3,4);
InChIKeyNXOGTLRMCXDXCJ-UHFFFAOYSA-N
XLogP3.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.65
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 91464981
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CID 173036521
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CID 160591801
1,1'-biphenyl;ethane;bis(1-phenylethanone)
CID 90714339
bis(1,1'-biphenyl);carbonate
CID 23514328
acetic acid;tris(1,1'-biphenyl);(2-phenylphenyl)phosphane
CID 173280384
ethane;1-(4-phenylphenyl)ethanone
CID 123256888
benzene;1,1'-biphenyl;ethane
CID 158550617
acetic acid;phenol
CID 70537927
benzene;tris(1,1'-biphenyl)
CID 162155747
formaldehyde;1-(4-phenylphenyl)ethanone
CID 70138371
acetyl chloride;4-phenylphenol
CID 174878083

Frequently Asked Questions

What is the IUPAC name of acetic acid;1,1'-biphenyl;zinc?
The IUPAC name of acetic acid;1,1'-biphenyl;zinc (CID 70522083) is acetic acid;1,1'-biphenyl;zinc.
What is the SMILES notation for acetic acid;1,1'-biphenyl;zinc?
The canonical SMILES for acetic acid;1,1'-biphenyl;zinc is CC(=O)O.[Zn].c1ccc(-c2ccccc2)cc1.
What is the InChIKey of acetic acid;1,1'-biphenyl;zinc?
The InChIKey is NXOGTLRMCXDXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C2H4O2.Zn/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2(3)4;/h1-10H;1H3,(H,3,4);.
What are the key properties of acetic acid;1,1'-biphenyl;zinc?
acetic acid;1,1'-biphenyl;zinc has a molecular weight of 279.65 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1,1'-biphenyl;zinc is sourced from PubChem (CID 70522083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).