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113854-54-9 | Pyrrolidine, 1-[2-[5-methyl-2-(1-methylethyl)phenoxy]ethyl]-
CAS No: 113854-54-9 Catalog No: AG0009XP MDL No:
Product Description
Catalog Number:
AG0009XP
Chemical Name:
Pyrrolidine, 1-[2-[5-methyl-2-(1-methylethyl)phenoxy]ethyl]-
CAS Number:
113854-54-9
Molecular Formula:
C16H25NO
Molecular Weight:
247.3758
IUPAC Name:
1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]pyrrolidine
InChI:
InChI=1S/C16H25NO/c1-13(2)15-7-6-14(3)12-16(15)18-11-10-17-8-4-5-9-17/h6-7,12-13H,4-5,8-11H2,1-3H3
InChI Key:
GWQRSALUMZMQTN-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)OCCN1CCCC1)C(C)C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.194g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.382g/mol
Monoisotopic Mass:
247.194g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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