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Home > Indoles and Oxindole > 1803611-36-0
1803611-36-0 | 2-({5-[(tert-butoxy)methyl]-1,2-oxazol-3-yl}methyl)-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 1803611-36-0 Catalog No: AG01AC6X MDL No:MFCD27500680
Product Description
Catalog Number:
AG01AC6X
Chemical Name:
2-({5-[(tert-butoxy)methyl]-1,2-oxazol-3-yl}methyl)-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
1803611-36-0
Molecular Formula:
C17H18N2O4
Molecular Weight:
314.3358
MDL Number:
MFCD27500680
IUPAC Name:
2-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]isoindole-1,3-dione
InChI:
InChI=1S/C17H18N2O4/c1-17(2,3)22-10-12-8-11(18-23-12)9-19-15(20)13-6-4-5-7-14(13)16(19)21/h4-8H,9-10H2,1-3H3
InChI Key:
MIQPYUIMMIXBHR-UHFFFAOYSA-N
SMILES:
CC(OCc1onc(c1)CN1C(=O)c2c(C1=O)cccc2)(C)C
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.127g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.341g/mol
Monoisotopic Mass:
314.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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