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14794-06-0 | Benzoic acid, 4-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-, ethyl ester
CAS No: 14794-06-0 Catalog No: AG001FAZ MDL No:MFCD00022580
Product Description
Catalog Number:
AG001FAZ
Chemical Name:
Benzoic acid, 4-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-, ethyl ester
CAS Number:
14794-06-0
Molecular Formula:
C13H11NO4
Molecular Weight:
245.2307
MDL Number:
MFCD00022580
IUPAC Name:
ethyl 4-(2,5-dioxopyrrol-1-yl)benzoate
InChI:
InChI=1S/C13H11NO4/c1-2-18-13(17)9-3-5-10(6-4-9)14-11(15)7-8-12(14)16/h3-8H,2H2,1H3
InChI Key:
DISBFDYIBYWYJZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)N1C(=O)C=CC1=O
NSC Number:
144973
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.234g/mol
Monoisotopic Mass:
245.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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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