Home Other Building Blocks 6-methyl-7-oxooctanoic acid

6-methyl-7-oxooctanoic acid

CAS No.:
99183-34-3
Catalog Number:
AG01A143
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
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Product Description
Catalog Number:
AG01A143
Chemical Name:
6-methyl-7-oxooctanoic acid
CAS Number:
99183-34-3
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
MDL Number:
MFCD20639044
IUPAC Name:
6-methyl-7-oxooctanoic acid
InChI:
InChI=1S/C9H16O3/c1-7(8(2)10)5-3-4-6-9(11)12/h7H,3-6H2,1-2H3,(H,11,12)
InChI Key:
WFGUTPGXNJPFOF-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCC(C(=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:
1  
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties