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849612-09-5 | Hexadecanoic acid, 4-formyl-3-hydroxyphenyl ester
CAS No: 849612-09-5 Catalog No: AG004R7U MDL No:
Product Description
Catalog Number:
AG004R7U
Chemical Name:
Hexadecanoic acid, 4-formyl-3-hydroxyphenyl ester
CAS Number:
849612-09-5
Molecular Formula:
C23H36O4
Molecular Weight:
376.5295
IUPAC Name:
(4-formyl-3-hydroxyphenyl) hexadecanoate
InChI:
InChI=1S/C23H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(26)27-21-17-16-20(19-24)22(25)18-21/h16-19,25H,2-15H2,1H3
InChI Key:
BXTJLOGYBNKICI-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC(=O)Oc1ccc(c(c1)O)C=O
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.261g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
376.537g/mol
Monoisotopic Mass:
376.261g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.7
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