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887591-82-4 | Ethyl 1-benzhydrylazetidine-3-carboxylate
CAS No: 887591-82-4 Catalog No: AG004BJ3 MDL No:MFCD07787081
Product Description
Catalog Number:
AG004BJ3
Chemical Name:
Ethyl 1-benzhydrylazetidine-3-carboxylate
CAS Number:
887591-82-4
Molecular Formula:
C19H21NO2
Molecular Weight:
295.3755
MDL Number:
MFCD07787081
IUPAC Name:
ethyl 1-benzhydrylazetidine-3-carboxylate
InChI:
InChI=1S/C19H21NO2/c1-2-22-19(21)17-13-20(14-17)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-18H,2,13-14H2,1H3
InChI Key:
BSXVAZZGSMOSNR-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CN(C1)C(c1ccccc1)c1ccccc1
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.157g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.382g/mol
Monoisotopic Mass:
295.157g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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