Home Other Building Blocks methyl 6-methyl-7-oxooctanoate

methyl 6-methyl-7-oxooctanoate

CAS No.:
5601-58-1
Catalog Number:
AG01A08U
Molecular Formula:
C10H18O3
Molecular Weight:
186.2481
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Product Description
Catalog Number:
AG01A08U
Chemical Name:
methyl 6-methyl-7-oxooctanoate
CAS Number:
5601-58-1
Molecular Formula:
C10H18O3
Molecular Weight:
186.2481
MDL Number:
MFCD22392011
IUPAC Name:
methyl 6-methyl-7-oxooctanoate
InChI:
InChI=1S/C10H18O3/c1-8(9(2)11)6-4-5-7-10(12)13-3/h8H,4-7H2,1-3H3
InChI Key:
JHXZNIABSDHLMR-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCC(C(=O)C)C
Properties
Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.126g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.251g/mol
Monoisotopic Mass:
186.126g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties