9-Octadecenoic acid (9Z)-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester


Chemical Name: 9-Octadecenoic acid (9Z)-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester
CAS Number: 18323-58-5
Product Number: AG0027FK(AGN-PC-0QCGES)
Synonyms:
MDL No: MFCD00076095
Molecular Formula: C28H40O4
Molecular Weight: 440.6148

Identification/Properties


Computed Properties
Molecular Weight:
440.624g/mol
XLogP3:
9.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
17
Exact Mass:
440.293g/mol
Monoisotopic Mass:
440.293g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
32
Formal Charge:
0
Complexity:
607
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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