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114804-77-2

114804-77-2 | 2-Naphthalenecarboxylic acid, 6-(phenylmethoxy)-

CAS No: 114804-77-2 Catalog No: AG000F91 MDL No:

Product Description

Catalog Number:
AG000F91
Chemical Name:
2-Naphthalenecarboxylic acid, 6-(phenylmethoxy)-
CAS Number:
114804-77-2
Molecular Formula:
C18H14O3
Molecular Weight:
278.3020
IUPAC Name:
6-phenylmethoxynaphthalene-2-carboxylic acid
InChI:
InChI=1S/C18H14O3/c19-18(20)16-7-6-15-11-17(9-8-14(15)10-16)21-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,19,20)
InChI Key:
ZAMRNNPFCAMROT-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)ccc(c2)OCc1ccccc1

Properties

Complexity:
348  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.094g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
278.307g/mol
Monoisotopic Mass:
278.094g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  

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