naphthalene-1-carboxylic acid;propanoic acid

C14H14O4 — CID 161134976

IUPACnaphthalene-1-carboxylic acid;propanoic acid
SMILESCCC(=O)O.O=C(O)c1cccc2ccccc12
InChIInChI=1S/C11H8O2.C3H6O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;1-2-3(4)5/h1-7H,(H,12,13);2H2,1H3,(H,4,5)
InChIKeyUMRFUNLZFMRZGL-UHFFFAOYSA-N
MW246.26 g/mol
LogP3.02
Rot. Bonds2

About naphthalene-1-carboxylic acid;propanoic acid

naphthalene-1-carboxylic acid;propanoic acid (PubChem CID 161134976) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is naphthalene-1-carboxylic acid;propanoic acid.

Molecular Properties

Compound Namenaphthalene-1-carboxylic acid;propanoic acid
PubChem CID161134976
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Namenaphthalene-1-carboxylic acid;propanoic acid
SMILESCCC(=O)O.O=C(O)c1cccc2ccccc12
InChIInChI=1S/C11H8O2.C3H6O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;1-2-3(4)5/h1-7H,(H,12,13);2H2,1H3,(H,4,5)
InChIKeyUMRFUNLZFMRZGL-UHFFFAOYSA-N
XLogP3.02
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 139265593
2-methylbenzene-1,3-dicarboxylic acid;1-naphthalen-1-ylethanone
CID 174493325
benzene-1,3-dicarboxylic acid;ethane-1,2-diol;naphthalene-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of naphthalene-1-carboxylic acid;propanoic acid?
The IUPAC name of naphthalene-1-carboxylic acid;propanoic acid (CID 161134976) is naphthalene-1-carboxylic acid;propanoic acid.
What is the SMILES notation for naphthalene-1-carboxylic acid;propanoic acid?
The canonical SMILES for naphthalene-1-carboxylic acid;propanoic acid is CCC(=O)O.O=C(O)c1cccc2ccccc12.
What is the InChIKey of naphthalene-1-carboxylic acid;propanoic acid?
The InChIKey is UMRFUNLZFMRZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O2.C3H6O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;1-2-3(4)5/h1-7H,(H,12,13);2H2,1H3,(H,4,5).
What are the key properties of naphthalene-1-carboxylic acid;propanoic acid?
naphthalene-1-carboxylic acid;propanoic acid has a molecular weight of 246.26 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-1-carboxylic acid;propanoic acid is sourced from PubChem (CID 161134976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).