Home Other Building Blocks Methyl 2-acetyl-3-oxobutanoate

Methyl 2-acetyl-3-oxobutanoate

CAS No.:
4619-66-3
Catalog Number:
AG006XAV
Molecular Formula:
C7H10O4
Molecular Weight:
158.1519
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Product Description
Catalog Number:
AG006XAV
Chemical Name:
Methyl 2-acetyl-3-oxobutanoate
CAS Number:
4619-66-3
Molecular Formula:
C7H10O4
Molecular Weight:
158.1519
MDL Number:
MFCD00042938
IUPAC Name:
methyl 2-acetyl-3-oxobutanoate
InChI:
InChI=1S/C7H10O4/c1-4(8)6(5(2)9)7(10)11-3/h6H,1-3H3
InChI Key:
UHCPCQYUMVLUKU-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(=O)C)C(=O)C
EC Number:
225-031-9
UNII:
ULU5MKD9FL
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.058g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.153g/mol
Monoisotopic Mass:
158.058g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties