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823814-13-7 | Propanoic acid, 2-methyl-, 1-ethyl-1-phenylpropyl ester
CAS No: 823814-13-7 Catalog No: AG004X1N MDL No:
Product Description
Catalog Number:
AG004X1N
Chemical Name:
Propanoic acid, 2-methyl-, 1-ethyl-1-phenylpropyl ester
CAS Number:
823814-13-7
Molecular Formula:
C15H22O2
Molecular Weight:
234.3340
IUPAC Name:
3-phenylpentan-3-yl 2-methylpropanoate
InChI:
InChI=1S/C15H22O2/c1-5-15(6-2,17-14(16)12(3)4)13-10-8-7-9-11-13/h7-12H,5-6H2,1-4H3
InChI Key:
YOQYGJZDYNFCLX-UHFFFAOYSA-N
SMILES:
CCC(c1ccccc1)(OC(=O)C(C)C)CC
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:
4.3
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