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1170-77-0 | 1,2-Benzenediol, 4-octadecyl-
CAS No: 1170-77-0 Catalog No: AG000DJ2 MDL No:
Product Description
Catalog Number:
AG000DJ2
Chemical Name:
1,2-Benzenediol, 4-octadecyl-
CAS Number:
1170-77-0
Molecular Formula:
C24H42O2
Molecular Weight:
362.5891
IUPAC Name:
4-octadecylbenzene-1,2-diol
InChI:
InChI=1S/C24H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-20-23(25)24(26)21-22/h19-21,25-26H,2-18H2,1H3
InChI Key:
PCLRIVGOWSVQBC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCc1ccc(c(c1)O)O
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.318g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
362.598g/mol
Monoisotopic Mass:
362.318g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.5
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