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114662-01-0 | 1,2-Naphthalenediol, 8-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-
CAS No: 114662-01-0 Catalog No: AG000EZP MDL No:
Product Description
Catalog Number:
AG000EZP
Chemical Name:
1,2-Naphthalenediol, 8-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-
CAS Number:
114662-01-0
Molecular Formula:
C16H21NO4
Molecular Weight:
291.3422
IUPAC Name:
8-[2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalene-1,2-diol
InChI:
InChI=1S/C16H21NO4/c1-10(2)17-8-12(18)9-21-14-5-3-4-11-6-7-13(19)16(20)15(11)14/h3-7,10,12,17-20H,8-9H2,1-2H3
InChI Key:
KLRIGTFTDCSJDG-UHFFFAOYSA-N
SMILES:
OC(COc1cccc2c1c(O)c(cc2)O)CNC(C)C
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.147g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
291.347g/mol
Monoisotopic Mass:
291.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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