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101855-37-2 | 2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-, 1-methylethyl ester
CAS No: 101855-37-2 Catalog No: AG0005R7 MDL No:
Product Description
Catalog Number:
AG0005R7
Chemical Name:
2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-, 1-methylethyl ester
CAS Number:
101855-37-2
Molecular Formula:
C13H13NO4
Molecular Weight:
247.2466
IUPAC Name:
propan-2-yl 2-(1,3-dioxoisoindol-2-yl)acetate
InChI:
InChI=1S/C13H13NO4/c1-8(2)18-11(15)7-14-12(16)9-5-3-4-6-10(9)13(14)17/h3-6,8H,7H2,1-2H3
InChI Key:
URWXPEIUWRCVQL-UHFFFAOYSA-N
SMILES:
CC(OC(=O)CN1C(=O)c2c(C1=O)cccc2)C
NSC Number:
117463
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.25g/mol
Monoisotopic Mass:
247.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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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