Home Aminos 3-o-Tolylamino-propionic acid

3-o-Tolylamino-propionic acid

CAS No.:
23947-32-2
Catalog Number:
AG006XR8
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
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Product Description
Catalog Number:
AG006XR8
Chemical Name:
3-o-Tolylamino-propionic acid
CAS Number:
23947-32-2
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD03988756
IUPAC Name:
3-(2-methylanilino)propanoic acid
InChI:
InChI=1S/C10H13NO2/c1-8-4-2-3-5-9(8)11-7-6-10(12)13/h2-5,11H,6-7H2,1H3,(H,12,13)
InChI Key:
HCXWJUKTMCSHFJ-UHFFFAOYSA-N
SMILES:
OC(=O)CCNc1ccccc1C
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties