Home Other Building Blocks 4,4-dimethylcycloheptan-1-one

4,4-dimethylcycloheptan-1-one

CAS No.:
35099-49-1
Catalog Number:
AG01AKYU
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
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Product Description
Catalog Number:
AG01AKYU
Chemical Name:
4,4-dimethylcycloheptan-1-one
CAS Number:
35099-49-1
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
MDL Number:
MFCD24394759
IUPAC Name:
4,4-dimethylcycloheptan-1-one
InChI:
InChI=1S/C9H16O/c1-9(2)6-3-4-8(10)5-7-9/h3-7H2,1-2H3
InChI Key:
BYMMLKKZWRAKQV-UHFFFAOYSA-N
SMILES:
O=C1CCCC(CC1)(C)C
Properties
Complexity:
136  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.12g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.226g/mol
Monoisotopic Mass:
140.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties