Home Other Building Blocks 4-benzyloxan-3-one

4-benzyloxan-3-one

CAS No.:
2090083-45-5
Catalog Number:
AG01EJW6
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
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Product Description
Catalog Number:
AG01EJW6
Chemical Name:
4-benzyloxan-3-one
CAS Number:
2090083-45-5
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
MDL Number:
MFCD31668720
IUPAC Name:
4-benzyloxan-3-one
InChI:
InChI=1S/C12H14O2/c13-12-9-14-7-6-11(12)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChI Key:
NWLMOYWRBPUOKA-UHFFFAOYSA-N
SMILES:
O=C1COCCC1Cc1ccccc1
Properties
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties