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116321-88-1 | Acetic acid, (butylphenoxy)-, butyl ester (9CI)
CAS No: 116321-88-1 Catalog No: AG000C7O MDL No:
Product Description
Catalog Number:
AG000C7O
Chemical Name:
Acetic acid, (butylphenoxy)-, butyl ester (9CI)
CAS Number:
116321-88-1
Molecular Formula:
C16H24O3
Molecular Weight:
264.3600
IUPAC Name:
butyl 2-(2-butylphenoxy)acetate
InChI:
InChI=1S/C16H24O3/c1-3-5-9-14-10-7-8-11-15(14)19-13-16(17)18-12-6-4-2/h7-8,10-11H,3-6,9,12-13H2,1-2H3
InChI Key:
IISSIZVAVZOSPT-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)COc1ccccc1CCCC
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.173g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.365g/mol
Monoisotopic Mass:
264.173g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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