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79576-80-0 | 1-Naphthalenol, 4,4'-methylenebis[2-methyl-
CAS No: 79576-80-0 Catalog No: AG0051AC MDL No:
Product Description
Catalog Number:
AG0051AC
Chemical Name:
1-Naphthalenol, 4,4'-methylenebis[2-methyl-
CAS Number:
79576-80-0
Molecular Formula:
C23H20O2
Molecular Weight:
328.4037
IUPAC Name:
4-[(4-hydroxy-3-methylnaphthalen-1-yl)methyl]-2-methylnaphthalen-1-ol
InChI:
InChI=1S/C23H20O2/c1-14-11-16(18-7-3-5-9-20(18)22(14)24)13-17-12-15(2)23(25)21-10-6-4-8-19(17)21/h3-12,24-25H,13H2,1-2H3
InChI Key:
MOJKCNIRHPKUKZ-UHFFFAOYSA-N
SMILES:
Cc1cc(Cc2cc(C)c(c3c2cccc3)O)c2c(c1O)cccc2
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.146g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
328.411g/mol
Monoisotopic Mass:
328.146g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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