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180915-94-0 | Pyrrolidine, 1-[2-[4-(3,4-dihydro-6-methoxy-1-naphthalenyl)phenoxy]ethyl]-
CAS No: 180915-94-0 Catalog No: AG0022GO MDL No:
Product Description
Catalog Number:
AG0022GO
Chemical Name:
Pyrrolidine, 1-[2-[4-(3,4-dihydro-6-methoxy-1-naphthalenyl)phenoxy]ethyl]-
CAS Number:
180915-94-0
Molecular Formula:
C23H27NO2
Molecular Weight:
349.4660
IUPAC Name:
1-[2-[4-(6-methoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine
InChI:
InChI=1S/C23H27NO2/c1-25-21-11-12-23-19(17-21)5-4-6-22(23)18-7-9-20(10-8-18)26-16-15-24-13-2-3-14-24/h6-12,17H,2-5,13-16H2,1H3
InChI Key:
LNXCMAIFYNBIAO-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)CCC=C2c1ccc(cc1)OCCN1CCCC1
EC Number:
605-911-2
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.204g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.474g/mol
Monoisotopic Mass:
349.204g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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