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828263-40-7 | 3-Hexadecen-2-one, 16-(1,3-benzodioxol-5-yl)-, (3E)-
CAS No: 828263-40-7 Catalog No: AG004T0A MDL No:
Product Description
Catalog Number:
AG004T0A
Chemical Name:
3-Hexadecen-2-one, 16-(1,3-benzodioxol-5-yl)-, (3E)-
CAS Number:
828263-40-7
Molecular Formula:
C23H34O3
Molecular Weight:
358.5143
IUPAC Name:
16-(1,3-benzodioxol-5-yl)hexadec-3-en-2-one
InChI:
InChI=1S/C23H34O3/c1-20(24)14-12-10-8-6-4-2-3-5-7-9-11-13-15-21-16-17-22-23(18-21)26-19-25-22/h12,14,16-18H,2-11,13,15,19H2,1H3
InChI Key:
GLEWZPUZTYZURE-UHFFFAOYSA-N
SMILES:
CC(=O)/C=C/CCCCCCCCCCCCc1ccc2c(c1)OCO2
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.251g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.522g/mol
Monoisotopic Mass:
358.251g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
8
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