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89270-72-4 | Pyrrolidine, 2,2-diethoxy-1-(phenylmethyl)-
CAS No: 89270-72-4 Catalog No: AG0041C3 MDL No:
Product Description
Catalog Number:
AG0041C3
Chemical Name:
Pyrrolidine, 2,2-diethoxy-1-(phenylmethyl)-
CAS Number:
89270-72-4
Molecular Formula:
C15H23NO2
Molecular Weight:
249.3486
IUPAC Name:
1-benzyl-2,2-diethoxypyrrolidine
InChI:
InChI=1S/C15H23NO2/c1-3-17-15(18-4-2)11-8-12-16(15)13-14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-13H2,1-2H3
InChI Key:
POVIPAKSQOTSLX-UHFFFAOYSA-N
SMILES:
CCOC1(CCCN1Cc1ccccc1)OCC
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.173g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.354g/mol
Monoisotopic Mass:
249.173g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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