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89326-73-8 | Pentanoic acid, 5-(4-methylphenoxy)-
CAS No: 89326-73-8 Catalog No: AG003YEY MDL No:
Product Description
Catalog Number:
AG003YEY
Chemical Name:
Pentanoic acid, 5-(4-methylphenoxy)-
CAS Number:
89326-73-8
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
IUPAC Name:
5-(4-methylphenoxy)pentanoic acid
InChI:
InChI=1S/C12H16O3/c1-10-5-7-11(8-6-10)15-9-3-2-4-12(13)14/h5-8H,2-4,9H2,1H3,(H,13,14)
InChI Key:
YCINAIJDMXOQFL-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCOc1ccc(cc1)C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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