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1008-30-6 | 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-phenyl-
CAS No: 1008-30-6 Catalog No: AG0002WL MDL No:MFCD00266689
Product Description
Catalog Number:
AG0002WL
Chemical Name:
3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-phenyl-
CAS Number:
1008-30-6
Molecular Formula:
C8H7N3O
Molecular Weight:
161.1607
MDL Number:
MFCD00266689
IUPAC Name:
4-phenyl-1H-1,2,4-triazol-5-one
InChI:
InChI=1S/C8H7N3O/c12-8-10-9-6-11(8)7-4-2-1-3-5-7/h1-6H,(H,10,12)
InChI Key:
UYVVGXZLFHZTKT-UHFFFAOYSA-N
SMILES:
O=c1[nH]ncn1c1ccccc1
NSC Number:
93434
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.164g/mol
Monoisotopic Mass:
161.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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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