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113896-95-0 | 2H-Pyrrol-2-one, 1,5-dihydro-4-(phenylmethoxy)-
CAS No: 113896-95-0 Catalog No: AG000A12 MDL No:
Product Description
Catalog Number:
AG000A12
Chemical Name:
2H-Pyrrol-2-one, 1,5-dihydro-4-(phenylmethoxy)-
CAS Number:
113896-95-0
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
IUPAC Name:
3-phenylmethoxy-1,2-dihydropyrrol-5-one
InChI:
InChI=1S/C11H11NO2/c13-11-6-10(7-12-11)14-8-9-4-2-1-3-5-9/h1-6H,7-8H2,(H,12,13)
InChI Key:
FIPLVTFTJOOADU-UHFFFAOYSA-N
SMILES:
O=C1NCC(=C1)OCc1ccccc1
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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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