Home Other Building Blocks 2-Methyloctan-4-one

2-Methyloctan-4-one

CAS No.:
7492-38-8
Catalog Number:
AG003HPZ
Molecular Formula:
C9H18O
Molecular Weight:
142.2386
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Product Description
Catalog Number:
AG003HPZ
Chemical Name:
2-Methyloctan-4-one
CAS Number:
7492-38-8
Molecular Formula:
C9H18O
Molecular Weight:
142.2386
MDL Number:
MFCD00048808
IUPAC Name:
2-methyloctan-4-one
InChI:
InChI=1S/C9H18O/c1-4-5-6-9(10)7-8(2)3/h8H,4-7H2,1-3H3
InChI Key:
ICSKJDZASFIJQK-UHFFFAOYSA-N
SMILES:
CCCCC(=O)CC(C)C
Properties
Complexity:
94.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.136g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.242g/mol
Monoisotopic Mass:
142.136g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties