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137517-25-0 | 1,5-Naphthalenediol, 2,6-dipropyl-
CAS No: 137517-25-0 Catalog No: AG0013H8 MDL No:
Product Description
Catalog Number:
AG0013H8
Chemical Name:
1,5-Naphthalenediol, 2,6-dipropyl-
CAS Number:
137517-25-0
Molecular Formula:
C16H20O2
Molecular Weight:
244.3288
IUPAC Name:
2,6-dipropylnaphthalene-1,5-diol
InChI:
InChI=1S/C16H20O2/c1-3-5-11-7-9-14-13(15(11)17)10-8-12(6-4-2)16(14)18/h7-10,17-18H,3-6H2,1-2H3
InChI Key:
CDXHQSXISXUVNS-UHFFFAOYSA-N
SMILES:
CCCc1ccc2c(c1O)ccc(c2O)CCC
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.146g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.334g/mol
Monoisotopic Mass:
244.146g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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