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Home > Indoles and Oxindole > 90503-16-5
90503-16-5 | 2-(2-hydroxy-3-phenylmethoxy-propyl)isoindole-1,3-dione
CAS No: 90503-16-5 Catalog No: AG006CQZ MDL No:
Product Description
Catalog Number:
AG006CQZ
Chemical Name:
2-(2-hydroxy-3-phenylmethoxy-propyl)isoindole-1,3-dione
CAS Number:
90503-16-5
Molecular Formula:
C18H17NO4
Molecular Weight:
311.3319
IUPAC Name:
2-(2-hydroxy-3-phenylmethoxypropyl)isoindole-1,3-dione
InChI:
InChI=1S/C18H17NO4/c20-14(12-23-11-13-6-2-1-3-7-13)10-19-17(21)15-8-4-5-9-16(15)18(19)22/h1-9,14,20H,10-12H2
InChI Key:
BQPGTZDMUJNXJZ-UHFFFAOYSA-N
SMILES:
OC(CN1C(=O)c2c(C1=O)cccc2)COCc1ccccc1
NSC Number:
380678
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.116g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.337g/mol
Monoisotopic Mass:
311.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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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