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127828-88-0 | 2(1H)-Phthalazineacetic acid, 1-oxo-4-phenyl-
CAS No: 127828-88-0 Catalog No: AG000XGI MDL No:MFCD00227458
Product Description
Catalog Number:
AG000XGI
Chemical Name:
2(1H)-Phthalazineacetic acid, 1-oxo-4-phenyl-
CAS Number:
127828-88-0
Molecular Formula:
C16H12N2O3
Molecular Weight:
280.2781
MDL Number:
MFCD00227458
IUPAC Name:
2-(1-oxo-4-phenylphthalazin-2-yl)acetic acid
InChI:
InChI=1S/C16H12N2O3/c19-14(20)10-18-16(21)13-9-5-4-8-12(13)15(17-18)11-6-2-1-3-7-11/h1-9H,10H2,(H,19,20)
InChI Key:
GYXUGIHFRFKEMD-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1nc(c2ccccc2)c2c(c1=O)cccc2
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.085g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.283g/mol
Monoisotopic Mass:
280.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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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