Methyl 4-(3-methoxy-3-oxopropoxy)benzoate

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Basic information

CAS: 35005-31-3
Standard SMILES: COC(=O)CCOc1ccc(C(=O)OC)cc1
InChIKey: BGBJRURJDDRIRP-UHFFFAOYSA-N
Molecular formula: C12H14O5
Average molar mass: 238.24 g/mol
Monoisotopic mass: 238.08412354

Names & identifiers

Preferred name: Methyl 4-(3-methoxy-3-oxopropoxy)benzoate
IUPAC: methyl 4-(3-methoxy-3-oxopropoxy)benzoate

Names & synonyms

Methyl 4-(3-methoxy-3-oxopropoxy)benzoate35005-31-3RefChem:355375SCHEMBL5043656BGBJRURJDDRIRP-UHFFFAOYSA-NDTXSID001272903Methyl p-(2-(methoxycarbonyl)ethoxy)benzoateMethyl 4-(3-methoxy-3-oxopropoxy)benzoate #

Database identifiers

CAS: 35005-31-3
PubChem CID: 560240
DTXSID: DTXSID001272903
Nikkaji: J1.407.670K

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 61.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 17
Formal charge: 0
Complexity: 256

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Compound notes

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