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1201080-20-7 | Benzoic acid, 3-(acetylamino)-4-ethoxy-, methyl ester
CAS No: 1201080-20-7 Catalog No: AG000QC6 MDL No:
Product Description
Catalog Number:
AG000QC6
Chemical Name:
Benzoic acid, 3-(acetylamino)-4-ethoxy-, methyl ester
CAS Number:
1201080-20-7
Molecular Formula:
C12H15NO4
Molecular Weight:
237.2518
IUPAC Name:
methyl 3-acetamido-4-ethoxybenzoate
InChI:
InChI=1S/C12H15NO4/c1-4-17-11-6-5-9(12(15)16-3)7-10(11)13-8(2)14/h5-7H,4H2,1-3H3,(H,13,14)
InChI Key:
SUDAUWMVRKOWIM-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1NC(=O)C)C(=O)OC
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.255g/mol
Monoisotopic Mass:
237.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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