Home Other Building Blocks Methyl 4-aMino-2,6-diMethylbenzoate

Methyl 4-aMino-2,6-diMethylbenzoate

CAS No.:
79909-92-5
Catalog Number:
AG00G9QZ
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
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Product Description
Catalog Number:
AG00G9QZ
Chemical Name:
Methyl 4-aMino-2,6-diMethylbenzoate
CAS Number:
79909-92-5
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD20691178
IUPAC Name:
methyl 4-amino-2,6-dimethylbenzoate
InChI:
InChI=1S/C10H13NO2/c1-6-4-8(11)5-7(2)9(6)10(12)13-3/h4-5H,11H2,1-3H3
InChI Key:
XSDROOHFZHGXIX-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)cc(cc1C)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:
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:
1.9  
Properties