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82789-27-3 | 4-(hydroxymethyl)benzenediazonium
CAS No: 82789-27-3 Catalog No: AG004TF9 MDL No:
Product Description
Catalog Number:
AG004TF9
Chemical Name:
4-(hydroxymethyl)benzenediazonium
CAS Number:
82789-27-3
Molecular Formula:
C7H7N2O+
Molecular Weight:
135.1433
IUPAC Name:
1-(3,4-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
InChI:
InChI=1S/C20H20N2O4/c1-25-16-8-7-11(9-17(16)26-2)18-19-13(10-15(22-18)20(23)24)12-5-3-4-6-14(12)21-19/h3-9,15,18,21-22H,10H2,1-2H3,(H,23,24)
InChI Key:
JLKKXFLIQLNLAN-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)[N+]#N
NSC Number:
96603
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.142g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
352.39g/mol
Monoisotopic Mass:
352.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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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