Methyl 8-formylnaphthalene-1-carboxylate

HCID 349031

Notes Reactions

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Basic information

CAS: 30934-48-6
Standard SMILES: COC(=O)c1cccc2cccc(C=O)c12
InChIKey: JGZPLVSLWMEKBH-UHFFFAOYSA-N
Molecular formula: C13H10O3
Average molar mass: 214.22 g/mol
Monoisotopic mass: 214.06299418

Names & identifiers

Preferred name: Methyl 8-formylnaphthalene-1-carboxylate
IUPAC: methyl 8-formylnaphthalene-1-carboxylate

Names & synonyms

methyl 8-formylnaphthalene-1-carboxylate30934-48-6NSC408579SCHEMBL3919352DTXSID60325084JGZPLVSLWMEKBH-UHFFFAOYSA-NNSC-408579DB-1302078-formylnaphthalene-1-carboxylic acid methyl ester

Database identifiers

CAS: 30934-48-6
PubChem CID: 349031
DTXSID: DTXSID60325084

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 274

Related reactions

2 records

New reaction record

HRID 212553As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 660579As reactantuspto-grants-2011_12

Compound notes

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