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132308-39-5 | Oxiranecarboxylic acid, 2-[6-(4-chlorophenoxy)hexyl]-, potassium salt, (2R)- (9CI)
CAS No: 132308-39-5 Catalog No: AG0010IB MDL No:
Product Description
Catalog Number:
AG0010IB
Chemical Name:
Oxiranecarboxylic acid, 2-[6-(4-chlorophenoxy)hexyl]-, potassium salt, (2R)- (9CI)
CAS Number:
132308-39-5
Molecular Formula:
C15H18ClKO4
Molecular Weight:
336.8523
IUPAC Name:
potassium;(2R)-2-[6-(4-chlorophenoxy)hexyl]oxirane-2-carboxylate
InChI:
InChI=1S/C15H19ClO4.K/c16-12-5-7-13(8-6-12)19-10-4-2-1-3-9-15(11-20-15)14(17)18;/h5-8H,1-4,9-11H2,(H,17,18);/q;+1/p-1/t15-;/m1./s1
InChI Key:
WBBGJSPIXZAHCU-XFULWGLBSA-M
SMILES:
Clc1ccc(cc1)OCCCCCC[C@@]1(CO1)C(=O)[O-].[K+]
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
336.053g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.853g/mol
Monoisotopic Mass:
336.053g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
61.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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