Home Aminos 3-[(propan-2-yl)amino]benzoic acid

3-[(propan-2-yl)amino]benzoic acid

CAS No.:
923112-64-5
Catalog Number:
AG01AGWU
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
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Product Description
Catalog Number:
AG01AGWU
Chemical Name:
3-[(propan-2-yl)amino]benzoic acid
CAS Number:
923112-64-5
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD08444913
IUPAC Name:
3-(propan-2-ylamino)benzoic acid
InChI:
InChI=1S/C10H13NO2/c1-7(2)11-9-5-3-4-8(6-9)10(12)13/h3-7,11H,1-2H3,(H,12,13)
InChI Key:
WIOMEZXHQDYHJJ-UHFFFAOYSA-N
SMILES:
CC(Nc1cccc(c1)C(=O)O)C
Properties
Complexity:
180  
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:
3  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties