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89201-08-1 | Propanedioic acid, (2-oxo-2-phenylethylidene)-, diethyl ester
CAS No: 89201-08-1 Catalog No: AG0046BK MDL No:
Product Description
Catalog Number:
AG0046BK
Chemical Name:
Propanedioic acid, (2-oxo-2-phenylethylidene)-, diethyl ester
CAS Number:
89201-08-1
Molecular Formula:
C15H16O5
Molecular Weight:
276.2845
IUPAC Name:
diethyl 2-phenacylidenepropanedioate
InChI:
InChI=1S/C15H16O5/c1-3-19-14(17)12(15(18)20-4-2)10-13(16)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
InChI Key:
SUHJOWTVHNNZAH-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=CC(=O)c1ccccc1)C(=O)OCC
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.288g/mol
Monoisotopic Mass:
276.1g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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