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114326-27-1 | 1-Naphthalenecarboxylic acid, 6-methoxy-2-(2-naphthalenylmethyl)-
CAS No: 114326-27-1 Catalog No: AG000B3M MDL No:
Product Description
Catalog Number:
AG000B3M
Chemical Name:
1-Naphthalenecarboxylic acid, 6-methoxy-2-(2-naphthalenylmethyl)-
CAS Number:
114326-27-1
Molecular Formula:
C23H18O3
Molecular Weight:
342.3872
IUPAC Name:
6-methoxy-2-(naphthalen-2-ylmethyl)naphthalene-1-carboxylic acid
InChI:
InChI=1S/C23H18O3/c1-26-20-10-11-21-18(14-20)8-9-19(22(21)23(24)25)13-15-6-7-16-4-2-3-5-17(16)12-15/h2-12,14H,13H2,1H3,(H,24,25)
InChI Key:
VROYZCXQSBSKET-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)ccc(c2C(=O)O)Cc1ccc2c(c1)cccc2
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.126g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.394g/mol
Monoisotopic Mass:
342.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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