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18031-76-0 | Benzeneacetic acid, α-hydroxy-α-phenyl-, 1-(2-propen-1-yl)-3-piperidinyl ester
CAS No: 18031-76-0 Catalog No: AG0021WY MDL No:
Product Description
Catalog Number:
AG0021WY
Chemical Name:
Benzeneacetic acid, α-hydroxy-α-phenyl-, 1-(2-propen-1-yl)-3-piperidinyl ester
CAS Number:
18031-76-0
Molecular Formula:
C22H25NO3
Molecular Weight:
351.4388
IUPAC Name:
(1-prop-2-enylpiperidin-3-yl) 2-hydroxy-2,2-diphenylacetate
InChI:
InChI=1S/C22H25NO3/c1-2-15-23-16-9-14-20(17-23)26-21(24)22(25,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h2-8,10-13,20,25H,1,9,14-17H2
InChI Key:
GYMMDMRPANGCCC-UHFFFAOYSA-N
SMILES:
C=CCN1CCCC(C1)OC(=O)C(c1ccccc1)(c1ccccc1)O
NSC Number:
130967
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.183g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
351.446g/mol
Monoisotopic Mass:
351.183g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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