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80356-10-1 | Pentanoic acid, 5-methyl-2-(1-methylethyl)phenyl ester
CAS No: 80356-10-1 Catalog No: AG005BHI MDL No:
Product Description
Catalog Number:
AG005BHI
Chemical Name:
Pentanoic acid, 5-methyl-2-(1-methylethyl)phenyl ester
CAS Number:
80356-10-1
Molecular Formula:
C15H22O2
Molecular Weight:
234.3340
IUPAC Name:
(5-methyl-2-propan-2-ylphenyl) pentanoate
InChI:
InChI=1S/C15H22O2/c1-5-6-7-15(16)17-14-10-12(4)8-9-13(14)11(2)3/h8-11H,5-7H2,1-4H3
InChI Key:
RIJOKQDIPZLLFF-UHFFFAOYSA-N
SMILES:
CCCCC(=O)Oc1cc(C)ccc1C(C)C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.339g/mol
Monoisotopic Mass:
234.162g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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