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139615-22-8 | 1-Naphthalenol, [(hydroxymethylphenylene)bis(methylene)]bis-
CAS No: 139615-22-8 Catalog No: AG001BEJ MDL No:
Product Description
Catalog Number:
AG001BEJ
Chemical Name:
1-Naphthalenol, [(hydroxymethylphenylene)bis(methylene)]bis-
CAS Number:
139615-22-8
Molecular Formula:
C29H24O3
Molecular Weight:
420.4991
IUPAC Name:
2-[[3-(hydroxymethyl)-2-[(1-hydroxynaphthalen-2-yl)methyl]phenyl]methyl]naphthalen-1-ol
InChI:
InChI=1S/C29H24O3/c30-18-24-9-5-8-21(16-22-14-12-19-6-1-3-10-25(19)28(22)31)27(24)17-23-15-13-20-7-2-4-11-26(20)29(23)32/h1-15,30-32H,16-18H2
InChI Key:
QOGUSQFKQIUWNU-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1Cc1ccc2c(c1O)cccc2)Cc1ccc2c(c1O)cccc2
Properties
Complexity:
593
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.173g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
420.508g/mol
Monoisotopic Mass:
420.173g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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