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Home > Imidazoles > 85586-47-6
85586-47-6 | L-histidine mono[3-(1H-imidazol-4-yl)acrylate]
CAS No: 85586-47-6 Catalog No: AG00GL1P MDL No:
Product Description
Catalog Number:
AG00GL1P
Chemical Name:
L-histidine mono[3-(1H-imidazol-4-yl)acrylate]
CAS Number:
85586-47-6
IUPAC Name:
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(E)-3-(1H-imidazol-5-yl)prop-2-enoic acid
InChI:
InChI=1S/C6H9N3O2.C6H6N2O2/c7-5(6(10)11)1-4-2-8-3-9-4;9-6(10)2-1-5-3-7-4-8-5/h2-3,5H,1,7H2,(H,8,9)(H,10,11);1-4H,(H,7,8)(H,9,10)/b;2-1+/t5-;/m0./s1
InChI Key:
KJXYHPVSKYVDPW-OSRGESDQSA-N
EC Number:
287-850-8
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
1
Exact Mass:
293.112g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
293.283g/mol
Monoisotopic Mass:
293.112g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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