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114897-85-7 | 2(1H)-Phthalazineacetic acid, 1-oxo-4-(phenylmethyl)-
CAS No: 114897-85-7 Catalog No: AG000FEA MDL No:MFCD00406072
Product Description
Catalog Number:
AG000FEA
Chemical Name:
2(1H)-Phthalazineacetic acid, 1-oxo-4-(phenylmethyl)-
CAS Number:
114897-85-7
Molecular Formula:
C17H14N2O3
Molecular Weight:
294.3047
MDL Number:
MFCD00406072
IUPAC Name:
2-(4-benzyl-1-oxophthalazin-2-yl)acetic acid
InChI:
InChI=1S/C17H14N2O3/c20-16(21)11-19-17(22)14-9-5-4-8-13(14)15(18-19)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,21)
InChI Key:
QAGXMQKMEDEMJM-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1nc(Cc2ccccc2)c2c(c1=O)cccc2
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.1g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.31g/mol
Monoisotopic Mass:
294.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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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