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42558-54-3 | Methyl 4-methyl-3-oxopentanoate
CAS No: 42558-54-3 Catalog No: AG003S0N MDL No:MFCD00040499
Product Description
Catalog Number:
AG003S0N
Chemical Name:
Methyl 4-methyl-3-oxopentanoate
CAS Number:
42558-54-3
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
MDL Number:
MFCD00040499
IUPAC Name:
methyl 4-methyl-3-oxopentanoate
InChI:
InChI=1S/C7H12O3/c1-5(2)6(8)4-7(9)10-3/h5H,4H2,1-3H3
InChI Key:
HNNFDXWDCFCVDM-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)C(C)C
EC Number:
418-900-0
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:
1
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