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29638-71-9 | 2,4-Pentanedione, 3-(3-phenyl-2-propen-1-yl)-
CAS No: 29638-71-9 Catalog No: AG002YYG MDL No:MFCD03425758
Product Description
Catalog Number:
AG002YYG
Chemical Name:
2,4-Pentanedione, 3-(3-phenyl-2-propen-1-yl)-
CAS Number:
29638-71-9
Molecular Formula:
C14H16O2
Molecular Weight:
216.2756
MDL Number:
MFCD03425758
IUPAC Name:
3-[(E)-3-phenylprop-2-enyl]pentane-2,4-dione
InChI:
InChI=1S/C14H16O2/c1-11(15)14(12(2)16)10-6-9-13-7-4-3-5-8-13/h3-9,14H,10H2,1-2H3/b9-6+
InChI Key:
PGEPOVPAPVUGAJ-RMKNXTFCSA-N
SMILES:
CC(=O)C(C(=O)C)CC=Cc1ccccc1
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
216.115g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.28g/mol
Monoisotopic Mass:
216.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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