Home Other Building Blocks methyl 2,2-dimethyl-4-oxobutanoate

methyl 2,2-dimethyl-4-oxobutanoate

CAS No.:
51445-11-5
Catalog Number:
AG01AG0Q
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
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Product Description
Catalog Number:
AG01AG0Q
Chemical Name:
methyl 2,2-dimethyl-4-oxobutanoate
CAS Number:
51445-11-5
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
MDL Number:
MFCD19982492
IUPAC Name:
methyl 2,2-dimethyl-4-oxobutanoate
InChI:
InChI=1S/C7H12O3/c1-7(2,4-5-8)6(9)10-3/h5H,4H2,1-3H3
InChI Key:
CHYLTSIAGLDTGN-UHFFFAOYSA-N
SMILES:
COC(=O)C(CC=O)(C)C
Properties
Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.079g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.17g/mol
Monoisotopic Mass:
144.079g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties