Home Other Building Blocks 1-methoxybutan-2-one

1-methoxybutan-2-one

CAS No.:
50741-70-3
Catalog Number:
AG01AJKX
Molecular Formula:
C5H10O2
Molecular Weight:
102.1317
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Product Description
Catalog Number:
AG01AJKX
Chemical Name:
1-methoxybutan-2-one
CAS Number:
50741-70-3
Molecular Formula:
C5H10O2
Molecular Weight:
102.1317
MDL Number:
MFCD14691011
IUPAC Name:
1-methoxybutan-2-one
InChI:
InChI=1S/C5H10O2/c1-3-5(6)4-7-2/h3-4H2,1-2H3
InChI Key:
AKXHGJCMQJQWMU-UHFFFAOYSA-N
SMILES:
COCC(=O)CC
Properties
Complexity:
59.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
102.068g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
102.133g/mol
Monoisotopic Mass:
102.068g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties