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125698-42-2 | 1,4-Phthalazinedione, 2,3-dihydro-2-(2-methoxyethyl)-
CAS No: 125698-42-2 Catalog No: AG000OI8 MDL No:
Product Description
Catalog Number:
AG000OI8
Chemical Name:
1,4-Phthalazinedione, 2,3-dihydro-2-(2-methoxyethyl)-
CAS Number:
125698-42-2
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
IUPAC Name:
3-(2-methoxyethyl)-2H-phthalazine-1,4-dione
InChI:
InChI=1S/C11H12N2O3/c1-16-7-6-13-11(15)9-5-3-2-4-8(9)10(14)12-13/h2-5H,6-7H2,1H3,(H,12,14)
InChI Key:
VJWRZTKNEMJJOX-UHFFFAOYSA-N
SMILES:
COCCn1[nH]c(=O)c2c(c1=O)cccc2
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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