1-Naphthoic acid methyl ester - CAS 2459-24-7
Catalog number: 2459-24-7
Category: Main Product
Molecular Formula:
C12H10O2
Molecular Weight:
186.21
COA:
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Purity:
95%
Synonyms:
RARECHEM AL BF 0090; 1-(Methoxycarbonyl)naphthalene; naphthoicacidmethylester; 1-NAPHTHOIC ACID METHYL ESTER; 1-NAPHTHALENECARBOXYLIC ACID METHYL ESTER; METHYL 1-NAPHTHALENECARBOXYLATE
MSDS:
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Boiling Point:
303.8ºC at 760mmHg
Density:
1,17 g/cm3
InChIKey:
HMRROBKAACRWBP-UHFFFAOYSA-N
InChI:
InChI=1S/C12H10O2/c1-14-12(13)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3
Canonical SMILES:
COC(=O)C1=CC=CC2=CC=CC=C21
1.5,8-Dimethoxy-1-naphthoic acid and methyl 5,8-dimethoxy-1-naphthoate.
Blackburn AC1, Gerkin RE. Acta Crystallogr C. 1997 Aug 15;53 ( Pt 8):1077-80.
In 5,8-dimethoxy-1-naphthoic acid, C13H12O4, hydrogen bonding is of the cyclic dimer type. The acid H atom is modelled as being distributed equally over two sites. In addition to the conventional hydrogen bonds, there are three significantly attractive C-H...O interactions. The dihedral angle between the naphthalene core plane and the carboxyl plane is 80.0 (1) degrees. In methyl 5,8-dimethoxy-1-naphthoate, C14H14O4, there are no conventional hydrogen bonds but there are three significantly attractive C-H...O interactions. With the exception of the C-O distances in the carboxyl groups, the molecular geometries of the acid and the ester are quite similar.
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CAS 2459-24-7 1-Naphthoic acid methyl ester

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