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18948-04-4 | Benzeneacetic acid, α-hydroxy-α-phenyl-, 1-(3-phenyl-2-propen-1-yl)-3-piperidinyl ester
CAS No: 18948-04-4 Catalog No: AG002DPL MDL No:
Product Description
Catalog Number:
AG002DPL
Chemical Name:
Benzeneacetic acid, α-hydroxy-α-phenyl-, 1-(3-phenyl-2-propen-1-yl)-3-piperidinyl ester
CAS Number:
18948-04-4
Molecular Formula:
C28H29NO3
Molecular Weight:
427.5348
IUPAC Name:
[1-(3-phenylprop-2-enyl)piperidin-3-yl] 2-hydroxy-2,2-diphenylacetate
InChI:
InChI=1S/C28H29NO3/c30-27(28(31,24-15-6-2-7-16-24)25-17-8-3-9-18-25)32-26-19-11-21-29(22-26)20-10-14-23-12-4-1-5-13-23/h1-10,12-18,26,31H,11,19-22H2
InChI Key:
PGZLDLPELYXORR-UHFFFAOYSA-N
SMILES:
O=C(C(c1ccccc1)(c1ccccc1)O)OC1CCCN(C1)CC=Cc1ccccc1
Properties
Complexity:
582
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.215g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
427.544g/mol
Monoisotopic Mass:
427.215g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
5.4
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