Home Other Building Blocks methyl 4-methyl-6-oxoheptanoate

methyl 4-methyl-6-oxoheptanoate

CAS No.:
41841-53-6
Catalog Number:
AG01B6MX
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
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Product Description
Catalog Number:
AG01B6MX
Chemical Name:
methyl 4-methyl-6-oxoheptanoate
CAS Number:
41841-53-6
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
MDL Number:
MFCD24694477
IUPAC Name:
methyl 4-methyl-6-oxoheptanoate
InChI:
InChI=1S/C9H16O3/c1-7(6-8(2)10)4-5-9(11)12-3/h7H,4-6H2,1-3H3
InChI Key:
ANUTUOGPBVZSJE-UHFFFAOYSA-N
SMILES:
COC(=O)CCC(CC(=O)C)C
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.11g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties