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119364-39-5 | Octanoic acid, 2-(4-chlorophenoxy)-, (R)- (9CI)
CAS No: 119364-39-5 Catalog No: AG000INJ MDL No:
Product Description
Catalog Number:
AG000INJ
Chemical Name:
Octanoic acid, 2-(4-chlorophenoxy)-, (R)- (9CI)
CAS Number:
119364-39-5
Molecular Formula:
C14H19ClO3
Molecular Weight:
270.7519
IUPAC Name:
(2R)-2-(4-chlorophenoxy)octanoic acid
InChI:
InChI=1S/C14H19ClO3/c1-2-3-4-5-6-13(14(16)17)18-12-9-7-11(15)8-10-12/h7-10,13H,2-6H2,1H3,(H,16,17)/t13-/m1/s1
InChI Key:
OCWRHALUOIBPBY-CYBMUJFWSA-N
SMILES:
CCCCCC[C@H](C(=O)O)Oc1ccc(cc1)Cl
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
270.102g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.753g/mol
Monoisotopic Mass:
270.102g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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