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88371-31-7 | Benzoic acid, 3-[(3-ethoxy-1-oxo-2-propenyl)amino]-, methyl ester
CAS No: 88371-31-7 Catalog No: AG004G0U MDL No:
Product Description
Catalog Number:
AG004G0U
Chemical Name:
Benzoic acid, 3-[(3-ethoxy-1-oxo-2-propenyl)amino]-, methyl ester
CAS Number:
88371-31-7
Molecular Formula:
C13H15NO4
Molecular Weight:
249.2625
IUPAC Name:
methyl 3-(3-ethoxyprop-2-enoylamino)benzoate
InChI:
InChI=1S/C13H15NO4/c1-3-18-8-7-12(15)14-11-6-4-5-10(9-11)13(16)17-2/h4-9H,3H2,1-2H3,(H,14,15)
InChI Key:
IXLZDUYBUURIQH-UHFFFAOYSA-N
SMILES:
CCOC=CC(=O)Nc1cccc(c1)C(=O)OC
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.266g/mol
Monoisotopic Mass:
249.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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