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89730-29-0 | 6-Octenoic acid, 8-phenyl-
CAS No: 89730-29-0 Catalog No: AG00428V MDL No:
Product Description
Catalog Number:
AG00428V
Chemical Name:
6-Octenoic acid, 8-phenyl-
CAS Number:
89730-29-0
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
IUPAC Name:
8-phenyloct-6-enoic acid
InChI:
InChI=1S/C14H18O2/c15-14(16)12-8-3-1-2-5-9-13-10-6-4-7-11-13/h2,4-7,10-11H,1,3,8-9,12H2,(H,15,16)
InChI Key:
QPDRXHSBBQTWEU-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCC=CCc1ccccc1
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.296g/mol
Monoisotopic Mass:
218.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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