lanthanum;3-phenylpropanoic acid

C9H10LaO2 — CID 174887955

IUPAClanthanum;3-phenylpropanoic acid
SMILESO=C(O)CCc1ccccc1.[La]
InChIInChI=1S/C9H10O2.La/c10-9(11)7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H,10,11);
InChIKeyGGSYVMFZJDTPCX-UHFFFAOYSA-N
MW289.08 g/mol
LogP1.70
Rot. Bonds3

About lanthanum;3-phenylpropanoic acid

lanthanum;3-phenylpropanoic acid (PubChem CID 174887955) has the molecular formula C9H10LaO2 and a molecular weight of 289.08 g/mol. Its IUPAC name is lanthanum;3-phenylpropanoic acid.

Molecular Properties

Compound Namelanthanum;3-phenylpropanoic acid
PubChem CID174887955
Molecular FormulaC9H10LaO2
Molecular Weight289.08 g/mol
Exact Mass288.97
IUPAC Namelanthanum;3-phenylpropanoic acid
SMILESO=C(O)CCc1ccccc1.[La]
InChIInChI=1S/C9H10O2.La/c10-9(11)7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H,10,11);
InChIKeyGGSYVMFZJDTPCX-UHFFFAOYSA-N
XLogP1.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.08
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of lanthanum;3-phenylpropanoic acid?
The IUPAC name of lanthanum;3-phenylpropanoic acid (CID 174887955) is lanthanum;3-phenylpropanoic acid.
What is the SMILES notation for lanthanum;3-phenylpropanoic acid?
The canonical SMILES for lanthanum;3-phenylpropanoic acid is O=C(O)CCc1ccccc1.[La].
What is the InChIKey of lanthanum;3-phenylpropanoic acid?
The InChIKey is GGSYVMFZJDTPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2.La/c10-9(11)7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H,10,11);.
What are the key properties of lanthanum;3-phenylpropanoic acid?
lanthanum;3-phenylpropanoic acid has a molecular weight of 289.08 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lanthanum;3-phenylpropanoic acid is sourced from PubChem (CID 174887955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).