2-(1-Naphthyl)malonic acid
Basic information
- CAS
6341-57-7- Standard SMILES
O=C(O)C(C(=O)O)c1cccc2ccccc12- InChIKey
MTWVMHFXOXGTCR-UHFFFAOYSA-N- Molecular formula
- C13H10O4
- Average molar mass
- 230.22 g/mol
- Monoisotopic mass
- 230.0579088
Names & identifiers
- Preferred name
- 2-(1-Naphthyl)malonic acid
- IUPAC
- 2-naphthalen-1-ylpropanedioic acid
- English name
- 2-(1-Naphthyl)malonic acid
- Molecular formula
- C13H10O4
- Molecular weight
- 230.22
Names & synonyms
2-(1-naphthyl)malonic acid6341-57-72-(Naphthalen-1-yl)malonic acidNSC 467222-(naphthalen-1-yl)propanedioic acid1-Naphthalenemalonic acidSCHEMBL6051357DTXSID90286634(Naphthalen-1-yl)propanedioic acidNSC46722NSC-46722Propanedioic acid, 2-(1-naphthalenyl)-
Database identifiers
- CAS
6341-57-7- PubChem CID
- 240502
- DTXSID
DTXSID90286634
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 299
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Compound notes
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