Home Other Building Blocks ethyl 2-[(2,6-dimethylphenyl)methylidene]-3-oxobutanoate

ethyl 2-[(2,6-dimethylphenyl)methylidene]-3-oxobutanoate

CAS No.:
1807887-88-2
Catalog Number:
AG01BBLB
Molecular Formula:
C15H18O3
Molecular Weight:
246.3016
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Product Description
Catalog Number:
AG01BBLB
Chemical Name:
ethyl 2-[(2,6-dimethylphenyl)methylidene]-3-oxobutanoate
CAS Number:
1807887-88-2
Molecular Formula:
C15H18O3
Molecular Weight:
246.3016
MDL Number:
MFCD28506039
IUPAC Name:
ethyl 2-[(2,6-dimethylphenyl)methylidene]-3-oxobutanoate
InChI:
InChI=1S/C15H18O3/c1-5-18-15(17)14(12(4)16)9-13-10(2)7-6-8-11(13)3/h6-9H,5H2,1-4H3
InChI Key:
FPEBHGKOFMDFIU-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=Cc1c(C)cccc1C)C(=O)C
Properties
Complexity:
334  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.126g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.306g/mol
Monoisotopic Mass:
246.126g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3  
Properties