Home Other Building Blocks DL-Sec-Butyl Acetate

DL-Sec-Butyl Acetate

CAS No.:
105-46-4
Catalog Number:
AG003PUJ
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
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Product Description
Catalog Number:
AG003PUJ
Chemical Name:
DL-Sec-Butyl Acetate
CAS Number:
105-46-4
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
MDL Number:
MFCD00009328
IUPAC Name:
butan-2-yl acetate
InChI:
InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3
InChI Key:
DCKVNWZUADLDEH-UHFFFAOYSA-N
SMILES:
CCC(OC(=O)C)C
NSC Number:
8034
RTECS Number:
AF7380000
UN Number:
1123
Properties
Complexity:
78.6  
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:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
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Properties