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820210-91-1 | Pyrrolidine, 1-[2-(4-methoxy-9H-xanthen-9-yl)ethyl]-
CAS No: 820210-91-1 Catalog No: AG004YTO MDL No:
Product Description
Catalog Number:
AG004YTO
Chemical Name:
Pyrrolidine, 1-[2-(4-methoxy-9H-xanthen-9-yl)ethyl]-
CAS Number:
820210-91-1
Molecular Formula:
C20H23NO2
Molecular Weight:
309.4021
IUPAC Name:
1-[2-(4-methoxy-9H-xanthen-9-yl)ethyl]pyrrolidine
InChI:
InChI=1S/C20H23NO2/c1-22-19-10-6-8-17-15(11-14-21-12-4-5-13-21)16-7-2-3-9-18(16)23-20(17)19/h2-3,6-10,15H,4-5,11-14H2,1H3
InChI Key:
WGAUQRWEEAHKGQ-UHFFFAOYSA-N
SMILES:
COc1cccc2c1Oc1ccccc1C2CCN1CCCC1
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.173g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.409g/mol
Monoisotopic Mass:
309.173g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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