Home Aminos Benzoic acid, 3-amino-2,4-dimethyl-

Benzoic acid, 3-amino-2,4-dimethyl-

CAS No.:
64289-45-8
Catalog Number:
AG00IBCH
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
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Product Description
Catalog Number:
AG00IBCH
Chemical Name:
Benzoic acid, 3-amino-2,4-dimethyl-
CAS Number:
64289-45-8
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD20641501
IUPAC Name:
3-amino-2,4-dimethylbenzoic acid
InChI:
InChI=1S/C9H11NO2/c1-5-3-4-7(9(11)12)6(2)8(5)10/h3-4H,10H2,1-2H3,(H,11,12)
InChI Key:
OXASAUXTASIZPW-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1C)N)C
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties