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71067-09-9 | 4-Hydroxybenzoic acid hexadecyl ester
CAS No: 71067-09-9 Catalog No: AG005ES3 MDL No:
Product Description
Catalog Number:
AG005ES3
Chemical Name:
4-Hydroxybenzoic acid hexadecyl ester
CAS Number:
71067-09-9
Molecular Formula:
C23H38O3
Molecular Weight:
362.5460
IUPAC Name:
hexadecyl 4-hydroxybenzoate
InChI:
InChI=1S/C23H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-26-23(25)21-16-18-22(24)19-17-21/h16-19,24H,2-15,20H2,1H3
InChI Key:
SJNCMISSTSMUFF-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCOC(=O)c1ccc(cc1)O
NSC Number:
309825
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.282g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
362.554g/mol
Monoisotopic Mass:
362.282g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.7
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