Home Other Building Blocks Diisobutyl carbonate

Diisobutyl carbonate

CAS No.:
539-92-4
Catalog Number:
AG003AQC
Molecular Formula:
C9H18O3
Molecular Weight:
174.2374
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Product Description
Catalog Number:
AG003AQC
Chemical Name:
Diisobutyl carbonate
CAS Number:
539-92-4
Molecular Formula:
C9H18O3
Molecular Weight:
174.2374
MDL Number:
MFCD00026479
IUPAC Name:
bis(2-methylpropyl) carbonate
InChI:
InChI=1S/C9H18O3/c1-7(2)5-11-9(10)12-6-8(3)4/h7-8H,5-6H2,1-4H3
InChI Key:
UXXXZMDJQLPQPH-UHFFFAOYSA-N
SMILES:
CC(COC(=O)OCC(C)C)C
EC Number:
208-730-3
NSC Number:
4009
Properties
Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.126g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.24g/mol
Monoisotopic Mass:
174.126g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties