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114804-76-1 | 2-Naphthalenecarboxylic acid, 6-(phenylmethoxy)-, methyl ester
CAS No: 114804-76-1 Catalog No: AG000F92 MDL No:
Product Description
Catalog Number:
AG000F92
Chemical Name:
2-Naphthalenecarboxylic acid, 6-(phenylmethoxy)-, methyl ester
CAS Number:
114804-76-1
Molecular Formula:
C19H16O3
Molecular Weight:
292.3285
IUPAC Name:
methyl 6-phenylmethoxynaphthalene-2-carboxylate
InChI:
InChI=1S/C19H16O3/c1-21-19(20)17-8-7-16-12-18(10-9-15(16)11-17)22-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3
InChI Key:
JDLLBUYSOOMRRG-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)ccc(c2)OCc1ccccc1
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.11g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.334g/mol
Monoisotopic Mass:
292.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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