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78069-49-5 | Methyl [4-(3-Oxobutyl)phenoxy]acetate
CAS No: 78069-49-5 Catalog No: AG01FD9L MDL No:
Product Description
Catalog Number:
AG01FD9L
Chemical Name:
Methyl [4-(3-Oxobutyl)phenoxy]acetate
CAS Number:
78069-49-5
Molecular Formula:
C13H16O4
Molecular Weight:
236.2637
IUPAC Name:
methyl 2-[4-(3-oxobutyl)phenoxy]acetate
InChI:
InChI=1S/C13H16O4/c1-10(14)3-4-11-5-7-12(8-6-11)17-9-13(15)16-2/h5-8H,3-4,9H2,1-2H3
InChI Key:
VHRZSSOLZBAVTD-UHFFFAOYSA-N
SMILES:
COC(=O)COc1ccc(cc1)CCC(=O)C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.267g/mol
Monoisotopic Mass:
236.105g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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