Home Aminos 3-amino-2,6-dimethylbenzoic acid

3-amino-2,6-dimethylbenzoic acid

CAS No.:
124784-13-0
Catalog Number:
AG01BTLN
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
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Product Description
Catalog Number:
AG01BTLN
Chemical Name:
3-amino-2,6-dimethylbenzoic acid
CAS Number:
124784-13-0
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD16249764
IUPAC Name:
3-amino-2,6-dimethylbenzoic acid
InChI:
InChI=1S/C9H11NO2/c1-5-3-4-7(10)6(2)8(5)9(11)12/h3-4H,10H2,1-2H3,(H,11,12)
InChI Key:
AQZUFQJRBICMRZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)ccc(c1C)N
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