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119256-94-9 | 1-Naphthalenol, 2,2-dibutyl-1,2,3,4-tetrahydro-5-(2-quinolinylmethoxy)-
CAS No: 119256-94-9 Catalog No: AG000IGO MDL No:
Product Description
Catalog Number:
AG000IGO
Chemical Name:
1-Naphthalenol, 2,2-dibutyl-1,2,3,4-tetrahydro-5-(2-quinolinylmethoxy)-
CAS Number:
119256-94-9
Molecular Formula:
C28H35NO2
Molecular Weight:
417.5830
IUPAC Name:
2,2-dibutyl-5-(quinolin-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-1-ol
InChI:
InChI=1S/C28H35NO2/c1-3-5-17-28(18-6-4-2)19-16-23-24(27(28)30)11-9-13-26(23)31-20-22-15-14-21-10-7-8-12-25(21)29-22/h7-15,27,30H,3-6,16-20H2,1-2H3
InChI Key:
PVZFWDHLBCYJIY-UHFFFAOYSA-N
SMILES:
CCCCC1(CCCC)CCc2c(C1O)cccc2OCc1ccc2c(n1)cccc2
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.267g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
417.593g/mol
Monoisotopic Mass:
417.267g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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