Home Other Building Blocks 2-(oxan-4-yl)-1-phenylethan-1-one

2-(oxan-4-yl)-1-phenylethan-1-one

CAS No.:
1247377-66-7
Catalog Number:
AG01A5JG
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
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Product Description
Catalog Number:
AG01A5JG
Chemical Name:
2-(oxan-4-yl)-1-phenylethan-1-one
CAS Number:
1247377-66-7
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
MDL Number:
MFCD16819621
IUPAC Name:
2-(oxan-4-yl)-1-phenylethanone
InChI:
InChI=1S/C13H16O2/c14-13(12-4-2-1-3-5-12)10-11-6-8-15-9-7-11/h1-5,11H,6-10H2
InChI Key:
NRPWUDNMAYNCCH-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CC1CCOCC1
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.115g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties