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124083-17-6 | Octanoic acid, 8-(4-chlorophenoxy)-2-methylene-
CAS No: 124083-17-6 Catalog No: AG000LK4 MDL No:
Product Description
Catalog Number:
AG000LK4
Chemical Name:
Octanoic acid, 8-(4-chlorophenoxy)-2-methylene-
CAS Number:
124083-17-6
Molecular Formula:
C15H19ClO3
Molecular Weight:
282.7626
IUPAC Name:
8-(4-chlorophenoxy)-2-methylideneoctanoic acid
InChI:
InChI=1S/C15H19ClO3/c1-12(15(17)18)6-4-2-3-5-11-19-14-9-7-13(16)8-10-14/h7-10H,1-6,11H2,(H,17,18)
InChI Key:
ZUXFCNVLSFLFQI-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)OCCCCCCC(=C)C(=O)O
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.102g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.764g/mol
Monoisotopic Mass:
282.102g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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