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Benzyl Hexanoate

CAS No.:
6938-45-0
Catalog Number:
AG0036T4
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
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Product Description
Catalog Number:
AG0036T4
Chemical Name:
Benzyl Hexanoate
CAS Number:
6938-45-0
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
MDL Number:
MFCD00064092
IUPAC Name:
benzyl hexanoate
InChI:
InChI=1S/C13H18O2/c1-2-3-5-10-13(14)15-11-12-8-6-4-7-9-12/h4,6-9H,2-3,5,10-11H2,1H3
InChI Key:
HRSXWUSONDBHSP-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)OCc1ccccc1
EC Number:
230-068-9
UNII:
U7PS33DRSK
NSC Number:
53964
FEMA Number:
4026
Properties
Complexity:
171  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties