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132858-54-9 | Hexanoic acid, 6-(4-methoxyphenoxy)-
CAS No: 132858-54-9 Catalog No: AG00119M MDL No:
Product Description
Catalog Number:
AG00119M
Chemical Name:
Hexanoic acid, 6-(4-methoxyphenoxy)-
CAS Number:
132858-54-9
Molecular Formula:
C13H18O4
Molecular Weight:
238.2796
IUPAC Name:
6-(4-methoxyphenoxy)hexanoic acid
InChI:
InChI=1S/C13H18O4/c1-16-11-6-8-12(9-7-11)17-10-4-2-3-5-13(14)15/h6-9H,2-5,10H2,1H3,(H,14,15)
InChI Key:
BKNNXPZCASTCIE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)OCCCCCC(=O)O
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.283g/mol
Monoisotopic Mass:
238.121g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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