Home Other Building Blocks 1-phenoxyhept-6-en-2-one

1-phenoxyhept-6-en-2-one

CAS No.:
1339698-04-2
Catalog Number:
AG01BI4N
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
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Product Description
Catalog Number:
AG01BI4N
Chemical Name:
1-phenoxyhept-6-en-2-one
CAS Number:
1339698-04-2
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
MDL Number:
MFCD20290810
IUPAC Name:
1-phenoxyhept-6-en-2-one
InChI:
InChI=1S/C13H16O2/c1-2-3-5-8-12(14)11-15-13-9-6-4-7-10-13/h2,4,6-7,9-10H,1,3,5,8,11H2
InChI Key:
KQIAYSJRIPXNEU-UHFFFAOYSA-N
SMILES:
C=CCCCC(=O)COc1ccccc1
Properties
Complexity:
193  
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:
7  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties