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175651-26-0 | 1,2-Benzenediol, 4-(9Z,12Z)-9,12-octadecadien-1-yl-
CAS No: 175651-26-0 Catalog No: AG002138 MDL No:
Product Description
Catalog Number:
AG002138
Chemical Name:
1,2-Benzenediol, 4-(9Z,12Z)-9,12-octadecadien-1-yl-
CAS Number:
175651-26-0
Molecular Formula:
C24H38O2
Molecular Weight:
358.5573
IUPAC Name:
4-octadeca-9,12-dienylbenzene-1,2-diol
InChI:
InChI=1S/C24H38O2/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/h6-7,9-10,19-21,25-26H,2-5,8,11-18H2,1H3
InChI Key:
CPUADDUBFNRCTL-UHFFFAOYSA-N
SMILES:
CCCCC/C=C\C/C=C\CCCCCCCCc1ccc(c(c1)O)O
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.287g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
358.566g/mol
Monoisotopic Mass:
358.287g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
8.9
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