Home Other Building Blocks 2-phenylhept-6-enoic acid

2-phenylhept-6-enoic acid

CAS No.:
115420-26-3
Catalog Number:
AG01BU83
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
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Product Description
Catalog Number:
AG01BU83
Chemical Name:
2-phenylhept-6-enoic acid
CAS Number:
115420-26-3
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
MDL Number:
MFCD21922776
IUPAC Name:
2-phenylhept-6-enoic acid
InChI:
InChI=1S/C13H16O2/c1-2-3-5-10-12(13(14)15)11-8-6-4-7-9-11/h2,4,6-9,12H,1,3,5,10H2,(H,14,15)
InChI Key:
CGCWGHILDIXRMP-UHFFFAOYSA-N
SMILES:
C=CCCCC(c1ccccc1)C(=O)O
Properties
Complexity:
205  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties