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5469-45-4 | 3-(2-Acetamidophenyl)acrylic acid
CAS No: 5469-45-4 Catalog No: AG003B2E MDL No:MFCD00008680
Product Description
Catalog Number:
AG003B2E
Chemical Name:
3-(2-Acetamidophenyl)acrylic acid
CAS Number:
5469-45-4
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD00008680
IUPAC Name:
(Z)-2-acetamido-3-phenylprop-2-enoic acid
InChI:
InChI=1S/C11H11NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,12,13)(H,14,15)/b10-7-
InChI Key:
XODAOBAZOQSFDS-YFHOEESVSA-N
SMILES:
OC(=O)/C=C/c1ccccc1NC(=O)C
EC Number:
226-795-6
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Conformational properties of N',N'-dimethylamides of N-acetyldehydroalanine and N-acetyl-(Z)-dehydrophenylalanine. | Acta biochimica Polonica 20010101 |
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