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230287-81-7 | Benzenepropanoic acid, 4-(2-methylpropyl)-, ethyl ester
CAS No: 230287-81-7 Catalog No: AG002LWW MDL No:
Product Description
Catalog Number:
AG002LWW
Chemical Name:
Benzenepropanoic acid, 4-(2-methylpropyl)-, ethyl ester
CAS Number:
230287-81-7
Molecular Formula:
C15H22O2
Molecular Weight:
234.3340
IUPAC Name:
ethyl 3-[4-(2-methylpropyl)phenyl]propanoate
InChI:
InChI=1S/C15H22O2/c1-4-17-15(16)10-9-13-5-7-14(8-6-13)11-12(2)3/h5-8,12H,4,9-11H2,1-3H3
InChI Key:
HQCIUZLBNNCORC-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCc1ccc(cc1)CC(C)C
Properties
Complexity:
215
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:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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