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Home > Indoles and Oxindole > 1775-18-4
1775-18-4 | 1H-Isoindole-1,3(2H)-dione, 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-
CAS No: 1775-18-4 Catalog No: AG0025D2 MDL No:
Product Description
Catalog Number:
AG0025D2
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-
CAS Number:
1775-18-4
Molecular Formula:
C13H13NO4
Molecular Weight:
247.2466
IUPAC Name:
2-[(2-methyl-1,3-dioxolan-2-yl)methyl]isoindole-1,3-dione
InChI:
InChI=1S/C13H13NO4/c1-13(17-6-7-18-13)8-14-11(15)9-4-2-3-5-10(9)12(14)16/h2-5H,6-8H2,1H3
InChI Key:
DBPLWNFKMHZONP-UHFFFAOYSA-N
SMILES:
O=C1N(CC2(C)OCCO2)C(=O)c2c1cccc2
Properties
Complexity:
351
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:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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