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22813-32-7 | 2-(2-Nitro-1H-imidazol-1-yl)acetic acid
CAS No: 22813-32-7 Catalog No: AG0037RV MDL No:MFCD12022607
Product Description
Catalog Number:
AG0037RV
Chemical Name:
2-(2-Nitro-1H-imidazol-1-yl)acetic acid
CAS Number:
22813-32-7
Molecular Formula:
C5H5N3O4
Molecular Weight:
171.1109
MDL Number:
MFCD12022607
IUPAC Name:
2-(2-nitroimidazol-1-yl)acetic acid
InChI:
InChI=1S/C5H5N3O4/c9-4(10)3-7-2-1-6-5(7)8(11)12/h1-2H,3H2,(H,9,10)
InChI Key:
TYDGDUVFDYKZMY-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1ccnc1[N+](=O)[O-]
NSC Number:
302988
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.028g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.112g/mol
Monoisotopic Mass:
171.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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