Home Other Building Blocks 2,4,4-TRIMETHYLCYCLOPENTANONE

2,4,4-TRIMETHYLCYCLOPENTANONE

CAS No.:
4694-12-6
Catalog Number:
AG003FLD
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
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Product Description
Catalog Number:
AG003FLD
Chemical Name:
2,4,4-TRIMETHYLCYCLOPENTANONE
CAS Number:
4694-12-6
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
MDL Number:
MFCD00019313
IUPAC Name:
2,4,4-trimethylcyclopentan-1-one
InChI:
InChI=1S/C8H14O/c1-6-4-8(2,3)5-7(6)9/h6H,4-5H2,1-3H3
InChI Key:
OXTQEWUBDTVSFB-UHFFFAOYSA-N
SMILES:
O=C1CC(CC1C)(C)C
EC Number:
225-155-3
Properties
Complexity:
136  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.104g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.199g/mol
Monoisotopic Mass:
126.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties