Home Other Building Blocks 3-ethynylcyclohexan-1-one

3-ethynylcyclohexan-1-one

CAS No.:
54125-18-7
Catalog Number:
AG01B8BN
Molecular Formula:
C8H10O
Molecular Weight:
122.1644
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01B8BN
Chemical Name:
3-ethynylcyclohexan-1-one
CAS Number:
54125-18-7
Molecular Formula:
C8H10O
Molecular Weight:
122.1644
MDL Number:
MFCD24690322
IUPAC Name:
3-ethynylcyclohexan-1-one
InChI:
InChI=1S/C8H10O/c1-2-7-4-3-5-8(9)6-7/h1,7H,3-6H2
InChI Key:
MXEXGWVDPLEEMV-UHFFFAOYSA-N
SMILES:
C#CC1CCCC(=O)C1
Properties
Complexity:
161  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.073g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.167g/mol
Monoisotopic Mass:
122.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties