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181137-62-2 | Propanedioic acid, 2-[(1R,2E)-1,3-diphenyl-2-propen-1-yl]-, 1,3-diethyl ester
CAS No: 181137-62-2 Catalog No: AG0022PS MDL No:
Product Description
Catalog Number:
AG0022PS
Chemical Name:
Propanedioic acid, 2-[(1R,2E)-1,3-diphenyl-2-propen-1-yl]-, 1,3-diethyl ester
CAS Number:
181137-62-2
Molecular Formula:
C22H24O4
Molecular Weight:
352.4236
IUPAC Name:
diethyl 2-[(1R)-1,3-diphenylprop-2-enyl]propanedioate
InChI:
InChI=1S/C22H24O4/c1-3-25-21(23)20(22(24)26-4-2)19(18-13-9-6-10-14-18)16-15-17-11-7-5-8-12-17/h5-16,19-20H,3-4H2,1-2H3/t19-/m0/s1
InChI Key:
KHPJOCZFKLKUDM-IBGZPJMESA-N
SMILES:
CCOC(=O)C([C@H](c1ccccc1)/C=C/c1ccccc1)C(=O)OCC
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
352.167g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.43g/mol
Monoisotopic Mass:
352.167g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5
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