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84006-32-6 | Decanoic acid,1-methyl-2-[(1-oxo-3-phenyl-2-propen-1-yl)oxy]propyl ester
CAS No: 84006-32-6 Catalog No: AG004QFU MDL No:
Product Description
Catalog Number:
AG004QFU
Chemical Name:
Decanoic acid,1-methyl-2-[(1-oxo-3-phenyl-2-propen-1-yl)oxy]propyl ester
CAS Number:
84006-32-6
Molecular Formula:
C23H34O4
Molecular Weight:
374.5137
IUPAC Name:
3-(3-phenylprop-2-enoyloxy)butan-2-yl decanoate
InChI:
InChI=1S/C23H34O4/c1-4-5-6-7-8-9-13-16-22(24)26-19(2)20(3)27-23(25)18-17-21-14-11-10-12-15-21/h10-12,14-15,17-20H,4-9,13,16H2,1-3H3
InChI Key:
NXXSHSNTDLCUKS-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(=O)OC(C(OC(=O)/C=C/c1ccccc1)C)C
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.246g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.521g/mol
Monoisotopic Mass:
374.246g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
7
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