Home Other Building Blocks 2-Amino-5-isopropylbenzoic acid

2-Amino-5-isopropylbenzoic acid

CAS No.:
68701-22-4
Catalog Number:
AG006HD7
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
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Product Description
Catalog Number:
AG006HD7
Chemical Name:
2-Amino-5-isopropylbenzoic acid
CAS Number:
68701-22-4
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD02358894
IUPAC Name:
2-amino-5-propan-2-ylbenzoic acid
InChI:
InChI=1S/C10H13NO2/c1-6(2)7-3-4-9(11)8(5-7)10(12)13/h3-6H,11H2,1-2H3,(H,12,13)
InChI Key:
QWNMKHLBVHTPFW-UHFFFAOYSA-N
SMILES:
CC(c1ccc(c(c1)C(=O)O)N)C
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:
2.5  
Properties