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23204-41-3 | 1H-Benz[de]isoquinoline-1,3(2H)-dione, 5-hydroxy-
CAS No: 23204-41-3 Catalog No: AG002MIR MDL No:
Product Description
Catalog Number:
AG002MIR
Chemical Name:
1H-Benz[de]isoquinoline-1,3(2H)-dione, 5-hydroxy-
CAS Number:
23204-41-3
Molecular Formula:
C12H7NO3
Molecular Weight:
213.1889
IUPAC Name:
5-hydroxybenzo[de]isoquinoline-1,3-dione
InChI:
InChI=1S/C12H7NO3/c14-7-4-6-2-1-3-8-10(6)9(5-7)12(16)13-11(8)15/h1-5,14H,(H,13,15,16)
InChI Key:
BJDNLARFUVNOND-UHFFFAOYSA-N
SMILES:
Oc1cc2cccc3c2c(c1)c(=O)[nH]c3=O
EC Number:
245-486-7
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.043g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.192g/mol
Monoisotopic Mass:
213.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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