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82765-86-4 | Hexadecanoic acid, 4-oxo-4H-pyran-3-yl ester
CAS No: 82765-86-4 Catalog No: AG004TFX MDL No:
Product Description
Catalog Number:
AG004TFX
Chemical Name:
Hexadecanoic acid, 4-oxo-4H-pyran-3-yl ester
CAS Number:
82765-86-4
Molecular Formula:
C21H34O4
Molecular Weight:
350.4923
IUPAC Name:
(4-oxopyran-3-yl) hexadecanoate
InChI:
InChI=1S/C21H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(23)25-20-18-24-17-16-19(20)22/h16-18H,2-15H2,1H3
InChI Key:
CYRJPZINAUBYSS-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC(=O)Oc1coccc1=O
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.246g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.499g/mol
Monoisotopic Mass:
350.246g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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