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16357-44-1 | Benzoic acid, 3-amino-4-methoxy-, ethyl ester
CAS No: 16357-44-1 Catalog No: AG001U8R MDL No:MFCD00017267
Product Description
Catalog Number:
AG001U8R
Chemical Name:
Benzoic acid, 3-amino-4-methoxy-, ethyl ester
CAS Number:
16357-44-1
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
MDL Number:
MFCD00017267
IUPAC Name:
ethyl 3-amino-4-methoxybenzoate
InChI:
InChI=1S/C10H13NO3/c1-3-14-10(12)7-4-5-9(13-2)8(11)6-7/h4-6H,3,11H2,1-2H3
InChI Key:
FEWCDEPEMGXGFK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)N)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
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