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128019-31-8 | 2-Naphthalenecarboxylic acid, 3-(phenylmethoxy)-
CAS No: 128019-31-8 Catalog No: AG000XOO MDL No:
Product Description
Catalog Number:
AG000XOO
Chemical Name:
2-Naphthalenecarboxylic acid, 3-(phenylmethoxy)-
CAS Number:
128019-31-8
Molecular Formula:
C18H14O3
Molecular Weight:
278.3020
IUPAC Name:
3-phenylmethoxynaphthalene-2-carboxylic acid
InChI:
InChI=1S/C18H14O3/c19-18(20)16-10-14-8-4-5-9-15(14)11-17(16)21-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,19,20)
InChI Key:
BPWLGUHJSQRCJV-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2ccccc2cc1OCc1ccccc1
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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