Home Other Building Blocks 1,4-dimethoxybutan-2-one

1,4-dimethoxybutan-2-one

CAS No.:
25680-86-8
Catalog Number:
AG01BAW3
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
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Product Description
Catalog Number:
AG01BAW3
Chemical Name:
1,4-dimethoxybutan-2-one
CAS Number:
25680-86-8
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
MDL Number:
MFCD16820073
IUPAC Name:
1,4-dimethoxybutan-2-one
InChI:
InChI=1S/C6H12O3/c1-8-4-3-6(7)5-9-2/h3-5H2,1-2H3
InChI Key:
WDVLUEIBBKAGNQ-UHFFFAOYSA-N
SMILES:
COCCC(=O)COC
NSC Number:
105799
Properties
Complexity:
80.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.079g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
132.159g/mol
Monoisotopic Mass:
132.079g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties