Home Other Building Blocks Acetic acid, butyl ester

Acetic acid, butyl ester

CAS No.:
123-86-4
Catalog Number:
AG000JXQ
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
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Purity
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Product Description
Catalog Number:
AG000JXQ
Chemical Name:
Acetic acid, butyl ester
CAS Number:
123-86-4
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
MDL Number:
MFCD00009445
IUPAC Name:
butyl acetate
InChI:
InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
InChI Key:
DKPFZGUDAPQIHT-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)C
EC Number:
204-658-1
UNII:
464P5N1905
NSC Number:
9298
FEMA Number:
2174
RTECS Number:
AF7350000
UN Number:
1123
Properties
Complexity:
68.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.084g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.16g/mol
Monoisotopic Mass:
116.084g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
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