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113918-70-0 | Propanoic acid, 2-(4-hydroxyphenoxy)-, hexyl ester, (R)- (9CI)
CAS No: 113918-70-0 Catalog No: AG000A29 MDL No:
Product Description
Catalog Number:
AG000A29
Chemical Name:
Propanoic acid, 2-(4-hydroxyphenoxy)-, hexyl ester, (R)- (9CI)
CAS Number:
113918-70-0
Molecular Formula:
C15H22O4
Molecular Weight:
266.3328
IUPAC Name:
hexyl 2-(4-hydroxyphenoxy)propanoate
InChI:
InChI=1S/C15H22O4/c1-3-4-5-6-11-18-15(17)12(2)19-14-9-7-13(16)8-10-14/h7-10,12,16H,3-6,11H2,1-2H3
InChI Key:
GGRPYEYOWGQSDE-UHFFFAOYSA-N
SMILES:
CCCCCCOC(=O)[C@H](Oc1ccc(cc1)O)C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.152g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.337g/mol
Monoisotopic Mass:
266.152g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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