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74009-48-6 | Benzoic acid, 2-hydroxy-4-pentadecyl-
CAS No: 74009-48-6 Catalog No: AG005IJL MDL No:MFCD00087388
Product Description
Catalog Number:
AG005IJL
Chemical Name:
Benzoic acid, 2-hydroxy-4-pentadecyl-
CAS Number:
74009-48-6
Molecular Formula:
C22H36O3
Molecular Weight:
348.5194
MDL Number:
MFCD00087388
IUPAC Name:
2-hydroxy-4-pentadecylbenzoic acid
InChI:
InChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-17-20(22(24)25)21(23)18-19/h16-18,23H,2-15H2,1H3,(H,24,25)
InChI Key:
ZCPCQTFJJJQCGQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCc1ccc(c(c1)O)C(=O)O
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.266g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
348.527g/mol
Monoisotopic Mass:
348.266g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.5
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