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13858-63-4

13858-63-4 | 2,4-Pentadienoic acid, 2-acetyl-5-phenyl-, ethyl ester

CAS No: 13858-63-4 Catalog No: AG0018SD MDL No:

Product Description

Catalog Number:
AG0018SD
Chemical Name:
2,4-Pentadienoic acid, 2-acetyl-5-phenyl-, ethyl ester
CAS Number:
13858-63-4
Molecular Formula:
C15H16O3
Molecular Weight:
244.2857
IUPAC Name:
ethyl 2-acetyl-5-phenylpenta-2,4-dienoate
InChI:
InChI=1S/C15H16O3/c1-3-18-15(17)14(12(2)16)11-7-10-13-8-5-4-6-9-13/h4-11H,3H2,1-2H3
InChI Key:
IEEXOFJUVNOCME-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=CC=Cc1ccccc1)C(=O)C

Properties

Complexity:
347  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.11g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.29g/mol
Monoisotopic Mass:
244.11g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2  
XLogP3:
2.9  

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