Home Other Building Blocks 4-HYDROXY-3-METHYL-2-BUTANONE

4-HYDROXY-3-METHYL-2-BUTANONE

CAS No.:
3393-64-4
Catalog Number:
AG003LI2
Molecular Formula:
C5H10O2
Molecular Weight:
102.1317
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Product Description
Catalog Number:
AG003LI2
Chemical Name:
4-HYDROXY-3-METHYL-2-BUTANONE
CAS Number:
3393-64-4
Molecular Formula:
C5H10O2
Molecular Weight:
102.1317
MDL Number:
MFCD00004739
IUPAC Name:
4-hydroxy-3-methylbutan-2-one
InChI:
InChI=1S/C5H10O2/c1-4(3-6)5(2)7/h4,6H,3H2,1-2H3
InChI Key:
VVSRECWZBBJOTG-UHFFFAOYSA-N
SMILES:
CC(C(=O)C)CO
EC Number:
222-238-6
NSC Number:
62078
Properties
Complexity:
68.5  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
102.133g/mol
Monoisotopic Mass:
102.068g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties