Home Other Building Blocks 3-(propan-2-yl)oxan-4-one

3-(propan-2-yl)oxan-4-one

CAS No.:
1538362-21-8
Catalog Number:
AG01BTMM
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
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Product Description
Catalog Number:
AG01BTMM
Chemical Name:
3-(propan-2-yl)oxan-4-one
CAS Number:
1538362-21-8
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
MDL Number:
MFCD30157936
IUPAC Name:
3-propan-2-yloxan-4-one
InChI:
InChI=1S/C8H14O2/c1-6(2)7-5-10-4-3-8(7)9/h6-7H,3-5H2,1-2H3
InChI Key:
MSYRRKHGWNZJRK-UHFFFAOYSA-N
SMILES:
CC(C1COCCC1=O)C
Properties
Complexity:
129  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.099g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.198g/mol
Monoisotopic Mass:
142.099g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties