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1003561-92-9

1003561-92-9 | Pyrrolidine, 3-[(4-methoxyphenyl)methyl]-

CAS No: 1003561-92-9 Catalog No: AG0001P6 MDL No:

Product Description

Catalog Number:
AG0001P6
Chemical Name:
Pyrrolidine, 3-[(4-methoxyphenyl)methyl]-
CAS Number:
1003561-92-9
Molecular Formula:
C12H17NO
Molecular Weight:
191.2695
IUPAC Name:
3-[(4-methoxyphenyl)methyl]pyrrolidine
InChI:
InChI=1S/C12H17NO/c1-14-12-4-2-10(3-5-12)8-11-6-7-13-9-11/h2-5,11,13H,6-9H2,1H3
InChI Key:
GBFZEOSJYVTTOW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CC1CNCC1

Properties

Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.131g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.274g/mol
Monoisotopic Mass:
191.131g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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