Home Other Building Blocks Acetic acid, hexyl ester

Acetic acid, hexyl ester

CAS No.:
142-92-7
Catalog Number:
AG001HJ5
Molecular Formula:
C8H16O2
Molecular Weight:
144.2114
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Product Description
Catalog Number:
AG001HJ5
Chemical Name:
Acetic acid, hexyl ester
CAS Number:
142-92-7
Molecular Formula:
C8H16O2
Molecular Weight:
144.2114
MDL Number:
MFCD00009524
IUPAC Name:
hexyl acetate
InChI:
InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3
InChI Key:
AOGQPLXWSUTHQB-UHFFFAOYSA-N
SMILES:
CCCCCCOC(=O)C
UNII:
7U7KU3MWT0
NSC Number:
7323
FEMA Number:
2565
UN Number:
1993
Properties
Complexity:
89.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.115g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.214g/mol
Monoisotopic Mass:
144.115g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
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Properties