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1155-60-8 | 1,2-Benzenediol, 4-dodecyl-
CAS No: 1155-60-8 Catalog No: AG000G3E MDL No:
Product Description
Catalog Number:
AG000G3E
Chemical Name:
1,2-Benzenediol, 4-dodecyl-
CAS Number:
1155-60-8
Molecular Formula:
C18H30O2
Molecular Weight:
278.4296
IUPAC Name:
4-dodecylbenzene-1,2-diol
InChI:
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17(19)18(20)15-16/h13-15,19-20H,2-12H2,1H3
InChI Key:
IGLIUFGSGJRAQF-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCc1ccc(c(c1)O)O
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.225g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.436g/mol
Monoisotopic Mass:
278.225g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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