Home Aminos Benzoic acid, 2-amino-4,5-dimethyl-, methyl ester

Benzoic acid, 2-amino-4,5-dimethyl-, methyl ester

CAS No.:
19258-73-2
Catalog Number:
AG002G4E
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
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Product Description
Catalog Number:
AG002G4E
Chemical Name:
Benzoic acid, 2-amino-4,5-dimethyl-, methyl ester
CAS Number:
19258-73-2
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD11505980
IUPAC Name:
methyl 2-amino-4,5-dimethylbenzoate
InChI:
InChI=1S/C10H13NO2/c1-6-4-8(10(12)13-3)9(11)5-7(6)2/h4-5H,11H2,1-3H3
InChI Key:
OEBNORXUIYOXGB-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C)c(cc1N)C
NSC Number:
106591
Properties
Complexity:
193  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties