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214754-50-4 | 1H-Isoindole-1,3(2H)-dione, 2-hydroxy-5-methoxy-
CAS No: 214754-50-4 Catalog No: AG007QDQ MDL No:
Product Description
Catalog Number:
AG007QDQ
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-hydroxy-5-methoxy-
CAS Number:
214754-50-4
Molecular Formula:
C9H7NO4
Molecular Weight:
193.1562
IUPAC Name:
2-hydroxy-5-methoxyisoindole-1,3-dione
InChI:
InChI=1S/C9H7NO4/c1-14-5-2-3-6-7(4-5)9(12)10(13)8(6)11/h2-4,13H,1H3
InChI Key:
VJVPGXXYLJECOC-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(=O)N(C2=O)O
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.158g/mol
Monoisotopic Mass:
193.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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