Home Other Building Blocks 1-methoxy-3-methylbutan-2-one

1-methoxy-3-methylbutan-2-one

CAS No.:
65857-35-4
Catalog Number:
AG01AKXI
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
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Product Description
Catalog Number:
AG01AKXI
Chemical Name:
1-methoxy-3-methylbutan-2-one
CAS Number:
65857-35-4
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
MDL Number:
MFCD14691012
IUPAC Name:
1-methoxy-3-methylbutan-2-one
InChI:
InChI=1S/C6H12O2/c1-5(2)6(7)4-8-3/h5H,4H2,1-3H3
InChI Key:
MJDDENYNARWBHQ-UHFFFAOYSA-N
SMILES:
COCC(=O)C(C)C
Properties
Complexity:
76.6  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties