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870640-43-0 | Furo[2,3-b]quinoline, 4,6,7-trimethoxy-, hydrate (2:3)
CAS No: 870640-43-0 Catalog No: AG008DMA MDL No:
Product Description
Catalog Number:
AG008DMA
Chemical Name:
Furo[2,3-b]quinoline, 4,6,7-trimethoxy-, hydrate (2:3)
CAS Number:
870640-43-0
Molecular Formula:
C28H32N2O11
Molecular Weight:
572.5605
IUPAC Name:
4,6,7-trimethoxyfuro[2,3-b]quinoline;trihydrate
InChI:
InChI=1S/2C14H13NO4.3H2O/c2*1-16-11-6-9-10(7-12(11)17-2)15-14-8(4-5-19-14)13(9)18-3;;;/h2*4-7H,1-3H3;3*1H2
InChI Key:
SEDICIGPZYSPIB-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)nc1c(c2OC)cco1.COc1cc2c(cc1OC)nc1c(c2OC)cco1.O.O.O
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
572.201g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
572.567g/mol
Monoisotopic Mass:
572.201g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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