Home Other Building Blocks methyl 4-acetyl-2-methyl-5-oxohexanoate

methyl 4-acetyl-2-methyl-5-oxohexanoate

CAS No.:
133578-40-2
Catalog Number:
AG019QBS
Molecular Formula:
C10H16O4
Molecular Weight:
200.2316
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Product Description
Catalog Number:
AG019QBS
Chemical Name:
methyl 4-acetyl-2-methyl-5-oxohexanoate
CAS Number:
133578-40-2
Molecular Formula:
C10H16O4
Molecular Weight:
200.2316
MDL Number:
MFCD29763484
IUPAC Name:
methyl 4-acetyl-2-methyl-5-oxohexanoate
InChI:
InChI=1S/C10H16O4/c1-6(10(13)14-4)5-9(7(2)11)8(3)12/h6,9H,5H2,1-4H3
InChI Key:
DIIPTRHCRHVEEI-UHFFFAOYSA-N
SMILES:
COC(=O)C(CC(C(=O)C)C(=O)C)C
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.105g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.234g/mol
Monoisotopic Mass:
200.105g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties