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88818-40-0 | 2-Pentanone, 5-hydroxy-5-(1,4,5,8-tetramethoxy-2-naphthalenyl)-
CAS No: 88818-40-0 Catalog No: AG004C4H MDL No:
Product Description
Catalog Number:
AG004C4H
Chemical Name:
2-Pentanone, 5-hydroxy-5-(1,4,5,8-tetramethoxy-2-naphthalenyl)-
CAS Number:
88818-40-0
Molecular Formula:
C19H24O6
Molecular Weight:
348.3903
IUPAC Name:
5-hydroxy-5-(1,4,5,8-tetramethoxynaphthalen-2-yl)pentan-2-one
InChI:
InChI=1S/C19H24O6/c1-11(20)6-7-13(21)12-10-16(24-4)17-14(22-2)8-9-15(23-3)18(17)19(12)25-5/h8-10,13,21H,6-7H2,1-5H3
InChI Key:
FBZXCOGIDAAHDO-UHFFFAOYSA-N
SMILES:
COc1c(cc(c2c1c(OC)ccc2OC)OC)C(CCC(=O)C)O
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.157g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
348.395g/mol
Monoisotopic Mass:
348.157g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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