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13282-13-8 | L-Histidine, N-(2-methyl-1-oxo-2-propen-1-yl)-
CAS No: 13282-13-8 Catalog No: AG001183 MDL No:
Product Description
Catalog Number:
AG001183
Chemical Name:
L-Histidine, N-(2-methyl-1-oxo-2-propen-1-yl)-
CAS Number:
13282-13-8
Molecular Formula:
C10H13N3O3
Molecular Weight:
223.2285
IUPAC Name:
(2S)-3-(1H-imidazol-5-yl)-2-(2-methylprop-2-enoylamino)propanoic acid
InChI:
InChI=1S/C10H13N3O3/c1-6(2)9(14)13-8(10(15)16)3-7-4-11-5-12-7/h4-5,8H,1,3H2,2H3,(H,11,12)(H,13,14)(H,15,16)/t8-/m0/s1
InChI Key:
ADESRODTHOCWKB-QMMMGPOBSA-N
SMILES:
CC(=C)C(=O)N[C@H](C(=O)O)Cc1c[nH]cn1
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
223.096g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
223.232g/mol
Monoisotopic Mass:
223.096g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Cr(III)-imprinted polymeric beads: Sorption and preconcentration studies. | Journal of hazardous materials 20070209 |
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