Home Other Building Blocks methyl 2-methyl-3-oxoheptanoate

methyl 2-methyl-3-oxoheptanoate

CAS No.:
1519526-49-8
Catalog Number:
AG01ALRN
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
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Product Description
Catalog Number:
AG01ALRN
Chemical Name:
methyl 2-methyl-3-oxoheptanoate
CAS Number:
1519526-49-8
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
MDL Number:
MFCD21917971
IUPAC Name:
methyl 2-methyl-3-oxoheptanoate
InChI:
InChI=1S/C9H16O3/c1-4-5-6-8(10)7(2)9(11)12-3/h7H,4-6H2,1-3H3
InChI Key:
PMYHSLZZCNJJOC-UHFFFAOYSA-N
SMILES:
CCCCC(=O)C(C(=O)OC)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:
1.9  
Properties