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18994-98-4 | 2-Propenoic acid, 2-oxo-1,2-diphenylethyl ester
CAS No: 18994-98-4 Catalog No: AG002E62 MDL No:
Product Description
Catalog Number:
AG002E62
Chemical Name:
2-Propenoic acid, 2-oxo-1,2-diphenylethyl ester
CAS Number:
18994-98-4
Molecular Formula:
C17H14O3
Molecular Weight:
266.2913
IUPAC Name:
(2-oxo-1,2-diphenylethyl) prop-2-enoate
InChI:
InChI=1S/C17H14O3/c1-2-15(18)20-17(14-11-7-4-8-12-14)16(19)13-9-5-3-6-10-13/h2-12,17H,1H2
InChI Key:
MSMAPCFQRXQMRL-UHFFFAOYSA-N
SMILES:
C=CC(=O)OC(C(=O)c1ccccc1)c1ccccc1
EC Number:
242-730-4
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.094g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.296g/mol
Monoisotopic Mass:
266.094g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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