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25947-13-1 | 1-Phthalazineacetic acid, 3,4-dihydro-4-oxo-, ethyl ester
CAS No: 25947-13-1 Catalog No: AG002R5X MDL No:MFCD00024142
Product Description
Catalog Number:
AG002R5X
Chemical Name:
1-Phthalazineacetic acid, 3,4-dihydro-4-oxo-, ethyl ester
CAS Number:
25947-13-1
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
MDL Number:
MFCD00024142
IUPAC Name:
ethyl 2-(4-oxo-3H-phthalazin-1-yl)acetate
InChI:
InChI=1S/C12H12N2O3/c1-2-17-11(15)7-10-8-5-3-4-6-9(8)12(16)14-13-10/h3-6H,2,7H2,1H3,(H,14,16)
InChI Key:
XBIOFKSFKYRIIX-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1n[nH]c(=O)c2c1cccc2
NSC Number:
408028
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.239g/mol
Monoisotopic Mass:
232.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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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