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143418-88-6 | 1,3-Benzenediol, 2-(1,3-dioxolo[4,5-h]quinolin-8-yl)-
CAS No: 143418-88-6 Catalog No: AG007K62 MDL No:
Product Description
Catalog Number:
AG007K62
Chemical Name:
1,3-Benzenediol, 2-(1,3-dioxolo[4,5-h]quinolin-8-yl)-
CAS Number:
143418-88-6
Molecular Formula:
C16H11NO4
Molecular Weight:
281.2628
IUPAC Name:
2-([1,3]dioxolo[4,5-h]quinolin-8-yl)benzene-1,3-diol
InChI:
InChI=1S/C16H11NO4/c18-11-2-1-3-12(19)14(11)10-6-4-9-5-7-13-16(15(9)17-10)21-8-20-13/h1-7,18-19H,8H2
InChI Key:
HSXZLBOEQORTKF-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1c1ccc2c(n1)c1OCOc1cc2)O
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.069g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.267g/mol
Monoisotopic Mass:
281.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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