CAS 30012-51-2 (RS)-Naproxen methyl ester (HCID 529084)

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Basic information

CAS: 30012-51-2
Standard SMILES: COC(=O)C(C)c1ccc2cc(OC)ccc2c1
InChIKey: ZFYFBPCRUQZGJE-UHFFFAOYSA-N
Molecular formula: C15H16O3
Average molar mass: 244.28 g/mol
Monoisotopic mass: 244.10994437

Names & identifiers

Preferred name: (RS)-Naproxen methyl ester
IUPAC: methyl 2-(6-methoxynaphthalen-2-yl)propanoate
English name: Naproxen methyl ester
Molecular formula: C15H16O3
Molecular weight: 244.29

Names & synonyms

30012-51-2(RS)-Naproxen methyl esterDTXSID601016454RefChem:210963DTXCID80218823methyl 2-(6-methoxynaphthalen-2-yl)propanoateMethyl 2-(6-methoxy-2-naphthyl)propanoateMFCD09954559alpha-methyl-6-methoxy-2-naphthaleneacetic acid methyl ester2-Naphthaleneacetic acid, 6-methoxy-.alpha.-methyl-, methyl ester, (+)--naphthyl)propanoateNaproxen Impurity 57

Show more names

methyl 2-(6-methoxy-2 -naphthyl)propanoateα-Methyl-6-methoxy-2-naphthaleneacetic acid methyl ester6-Methoxy-α-methylnaphthalene-2-acetic acid methyl ester2-Naphthaleneacetic acid, 6-methoxy-α-methyl-, methyl ester

Naproxen, methyl deriv.methyl 2-(6-methoxy-2SCHEMBL505811SCHEMBL295086032-(6-Methoxynaphthalene-2-yl)propanoic acid methyl ester6-Methoxy-alpha-methylnaphthalene-2-acetic acid methyl esterEAC69388AKOS015962252

Database identifiers

CAS: 30012-51-2
PubChem CID: 529084
DTXSID: DTXSID601016454
Nikkaji: J359.993K

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 289

Experimental & physicochemical properties

LogP4.6

Physicochemical properties

Melting point: 75 °C · 75 °C
Boiling point: 358.7 · 358.7±17.0 °C(Predicted)
Density: 1.122 · 1.122±0.06 g/cm3(Predicted)
solubility: soluble in DCM, Methanol
form: Solid
color: White
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338