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Isobutyl Isobutyrate

CAS No.:
97-85-8
Catalog Number:
AG00351O
Molecular Formula:
C8H16O2
Molecular Weight:
144.2114
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Product Description
Catalog Number:
AG00351O
Chemical Name:
Isobutyl Isobutyrate
CAS Number:
97-85-8
Molecular Formula:
C8H16O2
Molecular Weight:
144.2114
MDL Number:
MFCD00008916
IUPAC Name:
2-methylpropyl 2-methylpropanoate
InChI:
InChI=1S/C8H16O2/c1-6(2)5-10-8(9)7(3)4/h6-7H,5H2,1-4H3
InChI Key:
RXGUIWHIADMCFC-UHFFFAOYSA-N
SMILES:
CC(COC(=O)C(C)C)C
EC Number:
202-612-5
UNII:
Y495J99R5D
NSC Number:
6538
FEMA Number:
2189
RTECS Number:
NQ5250000
UN Number:
2528
Properties
Complexity:
106  
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:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties