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88420-29-5 | Acetic acid, [4-acetyl-3-(3-bromopropoxy)phenoxy]-, methyl ester
CAS No: 88420-29-5 Catalog No: AG004KKY MDL No:
Product Description
Catalog Number:
AG004KKY
Chemical Name:
Acetic acid, [4-acetyl-3-(3-bromopropoxy)phenoxy]-, methyl ester
CAS Number:
88420-29-5
Molecular Formula:
C14H17BrO5
Molecular Weight:
345.1858
IUPAC Name:
methyl 2-[4-acetyl-3-(3-bromopropoxy)phenoxy]acetate
InChI:
InChI=1S/C14H17BrO5/c1-10(16)12-5-4-11(20-9-14(17)18-2)8-13(12)19-7-3-6-15/h4-5,8H,3,6-7,9H2,1-2H3
InChI Key:
OUJYFGWBYOEXHZ-UHFFFAOYSA-N
SMILES:
BrCCCOc1cc(OCC(=O)OC)ccc1C(=O)C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.026g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.189g/mol
Monoisotopic Mass:
344.026g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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