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Home > Indoles and Oxindole > 4490-74-8
4490-74-8 | 2-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 4490-74-8 Catalog No: AG01AHFD MDL No:MFCD01646565
Product Description
Catalog Number:
AG01AHFD
Chemical Name:
2-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
4490-74-8
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD01646565
IUPAC Name:
2-(1-hydroxy-2-methylpropan-2-yl)isoindole-1,3-dione
InChI:
InChI=1S/C12H13NO3/c1-12(2,7-14)13-10(15)8-5-3-4-6-9(8)11(13)16/h3-6,14H,7H2,1-2H3
InChI Key:
BVOZNWIHPNVREJ-UHFFFAOYSA-N
SMILES:
OCC(N1C(=O)c2c(C1=O)cccc2)(C)C
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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