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20618-11-5 | Propanedioic acid, 2-(2,2-diphenylacetyl)-, 1,3-diethyl ester
CAS No: 20618-11-5 Catalog No: AG002AKB MDL No:
Product Description
Catalog Number:
AG002AKB
Chemical Name:
Propanedioic acid, 2-(2,2-diphenylacetyl)-, 1,3-diethyl ester
CAS Number:
20618-11-5
Molecular Formula:
C21H22O5
Molecular Weight:
354.3964
IUPAC Name:
diethyl 2-(2,2-diphenylacetyl)propanedioate
InChI:
InChI=1S/C21H22O5/c1-3-25-20(23)18(21(24)26-4-2)19(22)17(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,17-18H,3-4H2,1-2H3
InChI Key:
YYKWGVSARLSJKX-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)C(c1ccccc1)c1ccccc1)C(=O)OCC
NSC Number:
26934
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.147g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.402g/mol
Monoisotopic Mass:
354.147g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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