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14773-92-3 | 1,3-Benzenedimethanol, 2-hydroxy-5-octyl-
CAS No: 14773-92-3 Catalog No: AG001F68 MDL No:
Product Description
Catalog Number:
AG001F68
Chemical Name:
1,3-Benzenedimethanol, 2-hydroxy-5-octyl-
CAS Number:
14773-92-3
Molecular Formula:
C16H26O3
Molecular Weight:
266.3758
IUPAC Name:
2,6-bis(hydroxymethyl)-4-octylphenol
InChI:
InChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-13-9-14(11-17)16(19)15(10-13)12-18/h9-10,17-19H,2-8,11-12H2,1H3
InChI Key:
NRBWXXJBAMXAEP-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1cc(CO)c(c(c1)CO)O
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.188g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
266.381g/mol
Monoisotopic Mass:
266.188g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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