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83734-42-3 | (E)-3-(3-Ethoxyacrylamido)benzoic acid
CAS No: 83734-42-3 Catalog No: AG004XP1 MDL No:MFCD26404045
Product Description
Catalog Number:
AG004XP1
Chemical Name:
(E)-3-(3-Ethoxyacrylamido)benzoic acid
CAS Number:
83734-42-3
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
MDL Number:
MFCD26404045
IUPAC Name:
3-[[(E)-3-ethoxyprop-2-enoyl]amino]benzoic acid
InChI:
InChI=1S/C12H13NO4/c1-2-17-7-6-11(14)13-10-5-3-4-9(8-10)12(15)16/h3-8H,2H2,1H3,(H,13,14)(H,15,16)/b7-6+
InChI Key:
YZMGOVZHTUYCIT-VOTSOKGWSA-N
SMILES:
CCO/C=C/C(=O)Nc1cccc(c1)C(=O)O
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
235.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.239g/mol
Monoisotopic Mass:
235.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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