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Home > Indoles and Oxindole > 1211085-34-5
1211085-34-5 | 2-(Pyridin-4-ylmethyl)-2,3-dihydro-1H-isoindole -1,3-dione dihydrate
CAS No: 1211085-34-5 Catalog No: AG01F56E MDL No:
Product Description
Catalog Number:
AG01F56E
Chemical Name:
2-(Pyridin-4-ylmethyl)-2,3-dihydro-1H-isoindole -1,3-dione dihydrate
CAS Number:
1211085-34-5
Molecular Formula:
C14H14N2O4
Molecular Weight:
274.2720
IUPAC Name:
2-(pyridin-4-ylmethyl)isoindole-1,3-dione;dihydrate
InChI:
InChI=1S/C14H10N2O2.2H2O/c17-13-11-3-1-2-4-12(11)14(18)16(13)9-10-5-7-15-8-6-10;;/h1-8H,9H2;2*1H2
InChI Key:
SJRHJGJJIKQNOA-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2ccncc2)C(=O)c2c1cccc2.O.O
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.276g/mol
Monoisotopic Mass:
274.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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