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204578-88-1 | Carbonic acid, (1S,2E)-1,3-diphenyl-2-propenyl ethyl ester (9CI)
CAS No: 204578-88-1 Catalog No: AG0029KI MDL No:
Product Description
Catalog Number:
AG0029KI
Chemical Name:
Carbonic acid, (1S,2E)-1,3-diphenyl-2-propenyl ethyl ester (9CI)
CAS Number:
204578-88-1
Molecular Formula:
C18H18O3
Molecular Weight:
282.3337
IUPAC Name:
[(1S)-1,3-diphenylprop-2-enyl] ethyl carbonate
InChI:
InChI=1S/C18H18O3/c1-2-20-18(19)21-17(16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h3-14,17H,2H2,1H3/t17-/m0/s1
InChI Key:
AIYDSHYGTGZCIR-KRWDZBQOSA-N
SMILES:
CCOC(=O)O[C@H](c1ccccc1)/C=C/c1ccccc1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
282.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.339g/mol
Monoisotopic Mass:
282.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.7
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