Home Carboxys 1-[(4-methoxyphenyl)methyl]azetidine-2-carboxylic acid

1-[(4-methoxyphenyl)methyl]azetidine-2-carboxylic acid

CAS No.:
1042413-93-3
Catalog Number:
AG01B6XC
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
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Product Description
Catalog Number:
AG01B6XC
Chemical Name:
1-[(4-methoxyphenyl)methyl]azetidine-2-carboxylic acid
CAS Number:
1042413-93-3
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD08456952
IUPAC Name:
1-[(4-methoxyphenyl)methyl]azetidine-2-carboxylic acid
InChI:
InChI=1S/C12H15NO3/c1-16-10-4-2-9(3-5-10)8-13-7-6-11(13)12(14)15/h2-5,11H,6-8H2,1H3,(H,14,15)
InChI Key:
RUHKUSSRDNLLTL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CN1CCC1C(=O)O
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Properties