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88381-78-6 | 1,2-Naphthalenediol, 4-(phenylmethoxy)-
CAS No: 88381-78-6 Catalog No: AG004IM4 MDL No:
Product Description
Catalog Number:
AG004IM4
Chemical Name:
1,2-Naphthalenediol, 4-(phenylmethoxy)-
CAS Number:
88381-78-6
Molecular Formula:
C17H14O3
Molecular Weight:
266.2913
IUPAC Name:
4-phenylmethoxynaphthalene-1,2-diol
InChI:
InChI=1S/C17H14O3/c18-15-10-16(20-11-12-6-2-1-3-7-12)13-8-4-5-9-14(13)17(15)19/h1-10,18-19H,11H2
InChI Key:
AYMZAZVGJXNVNZ-UHFFFAOYSA-N
SMILES:
Oc1c(O)cc(c2c1cccc2)OCc1ccccc1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.094g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.296g/mol
Monoisotopic Mass:
266.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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