Home Aminos Benzoic acid, 3-amino-5-ethoxy-, methyl ester (9CI)

Benzoic acid, 3-amino-5-ethoxy-, methyl ester (9CI)

CAS No.:
706792-04-3
Catalog Number:
AG00FHOF
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
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Product Description
Catalog Number:
AG00FHOF
Chemical Name:
Benzoic acid, 3-amino-5-ethoxy-, methyl ester (9CI)
CAS Number:
706792-04-3
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
MDL Number:
MFCD20696913
IUPAC Name:
methyl 3-amino-5-ethoxybenzoate
InChI:
InChI=1S/C10H13NO3/c1-3-14-9-5-7(10(12)13-2)4-8(11)6-9/h4-6H,3,11H2,1-2H3
InChI Key:
UBCBLDVGUKBPKU-UHFFFAOYSA-N
SMILES:
CCOc1cc(N)cc(c1)C(=O)OC
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.09g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties