Home Aminos 4-[(2-methoxy-5-methylphenyl)amino]butanoic acid

4-[(2-methoxy-5-methylphenyl)amino]butanoic acid

CAS No.:
1016735-33-3
Catalog Number:
AG01A7FQ
Molecular Formula:
C12H17NO3
Molecular Weight:
223.2683
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Product Description
Catalog Number:
AG01A7FQ
Chemical Name:
4-[(2-methoxy-5-methylphenyl)amino]butanoic acid
CAS Number:
1016735-33-3
Molecular Formula:
C12H17NO3
Molecular Weight:
223.2683
MDL Number:
MFCD09808200
IUPAC Name:
4-(2-methoxy-5-methylanilino)butanoic acid
InChI:
InChI=1S/C12H17NO3/c1-9-5-6-11(16-2)10(8-9)13-7-3-4-12(14)15/h5-6,8,13H,3-4,7H2,1-2H3,(H,14,15)
InChI Key:
YNIKYUHWSSWCMD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1NCCCC(=O)O)C
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.121g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
223.272g/mol
Monoisotopic Mass:
223.121g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties