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3952-67-8 | Methyl 3-methyl-2-oxobutanoate
CAS No: 3952-67-8 Catalog No: AG003RSY MDL No:MFCD12198846
Product Description
Catalog Number:
AG003RSY
Chemical Name:
Methyl 3-methyl-2-oxobutanoate
CAS Number:
3952-67-8
Molecular Formula:
C6H10O3
Molecular Weight:
130.1418
MDL Number:
MFCD12198846
IUPAC Name:
methyl 3-methyl-2-oxobutanoate
InChI:
InChI=1S/C6H10O3/c1-4(2)5(7)6(8)9-3/h4H,1-3H3
InChI Key:
NKWVBPZZQFOVCE-UHFFFAOYSA-N
SMILES:
COC(=O)C(=O)C(C)C
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.063g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.143g/mol
Monoisotopic Mass:
130.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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