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Home > Imidazoles > 49671-84-3
49671-84-3 | 3-(1 H-BENZOIMIDAZOL-2-YL)-2,3-DIHYDROXY-PROPIONIC ACID
CAS No: 49671-84-3 Catalog No: AG00D9E0 MDL No:MFCD00458799
Product Description
Catalog Number:
AG00D9E0
Chemical Name:
3-(1 H-BENZOIMIDAZOL-2-YL)-2,3-DIHYDROXY-PROPIONIC ACID
CAS Number:
49671-84-3
Molecular Formula:
C10H10N2O4
Molecular Weight:
222.1974
MDL Number:
MFCD00458799
IUPAC Name:
3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid
InChI:
InChI=1S/C10H10N2O4/c13-7(8(14)10(15)16)9-11-5-3-1-2-4-6(5)12-9/h1-4,7-8,13-14H,(H,11,12)(H,15,16)
InChI Key:
FUOWVFMEVIDAKH-UHFFFAOYSA-N
SMILES:
OC(=O)C(C(c1nc2c([nH]1)cccc2)O)O
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
222.2g/mol
Monoisotopic Mass:
222.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
2
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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