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6994-20-3 | Hexanoic acid,3-phenyl-2-propen-1-yl ester
CAS No: 6994-20-3 Catalog No: AG005H1E MDL No:
Product Description
Catalog Number:
AG005H1E
Chemical Name:
Hexanoic acid,3-phenyl-2-propen-1-yl ester
CAS Number:
6994-20-3
Molecular Formula:
C15H20O2
Molecular Weight:
232.3181
IUPAC Name:
[(E)-3-phenylprop-2-enyl] hexanoate
InChI:
InChI=1S/C15H20O2/c1-2-3-5-12-15(16)17-13-8-11-14-9-6-4-7-10-14/h4,6-11H,2-3,5,12-13H2,1H3/b11-8+
InChI Key:
BHXVENZBMFLCKE-DHZHZOJOSA-N
SMILES:
CCCCCC(=O)OCC=Cc1ccccc1
EC Number:
615-038-9
NSC Number:
53971
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
232.146g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.323g/mol
Monoisotopic Mass:
232.146g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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