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87228-45-3

87228-45-3 | Benzenebutanoic acid, 1-methyl-3-phenylpropyl ester

CAS No: 87228-45-3 Catalog No: AG004MUC MDL No:

Product Description

Catalog Number:
AG004MUC
Chemical Name:
Benzenebutanoic acid, 1-methyl-3-phenylpropyl ester
CAS Number:
87228-45-3
Molecular Formula:
C20H24O2
Molecular Weight:
296.4034
IUPAC Name:
4-phenylbutan-2-yl 4-phenylbutanoate
InChI:
InChI=1S/C20H24O2/c1-17(15-16-19-11-6-3-7-12-19)22-20(21)14-8-13-18-9-4-2-5-10-18/h2-7,9-12,17H,8,13-16H2,1H3
InChI Key:
AEDIKIWAWYSOHC-UHFFFAOYSA-N
SMILES:
CC(OC(=O)CCCc1ccccc1)CCc1ccccc1

Properties

Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.178g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.41g/mol
Monoisotopic Mass:
296.178g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1  

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