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16273-11-3 | 1,2-Benzenediol, 4-methyl-3-pentadecyl-
CAS No: 16273-11-3 Catalog No: AG001TD8 MDL No:
Product Description
Catalog Number:
AG001TD8
Chemical Name:
1,2-Benzenediol, 4-methyl-3-pentadecyl-
CAS Number:
16273-11-3
Molecular Formula:
C22H38O2
Molecular Weight:
334.5359
IUPAC Name:
4-methyl-3-pentadecylbenzene-1,2-diol
InChI:
InChI=1S/C22H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-19(2)17-18-21(23)22(20)24/h17-18,23-24H,3-16H2,1-2H3
InChI Key:
DBLKLBZYXMNKMJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCc1c(C)ccc(c1O)O
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.287g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
334.544g/mol
Monoisotopic Mass:
334.287g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.4
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