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

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

CAS No.:
154551-48-1
Catalog Number:
AG019WVG
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
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Product Description
Catalog Number:
AG019WVG
Chemical Name:
2-amino-3-(propan-2-yl)benzoic acid
CAS Number:
154551-48-1
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD11193639
IUPAC Name:
2-amino-3-propan-2-ylbenzoic acid
InChI:
InChI=1S/C10H13NO2/c1-6(2)7-4-3-5-8(9(7)11)10(12)13/h3-6H,11H2,1-2H3,(H,12,13)
InChI Key:
VSDBREZLAHYQJY-UHFFFAOYSA-N
SMILES:
CC(c1cccc(c1N)C(=O)O)C
NSC Number:
135173
Properties
Complexity:
191  
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:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties