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898-18-0 | 1-ethyl-1,2,3,4,4a,5,5a,9a-octahydrobenzo[g]quinoline-6,7-diol
CAS No: 898-18-0 Catalog No: AG003Z6I MDL No:
Product Description
Catalog Number:
AG003Z6I
Chemical Name:
1-ethyl-1,2,3,4,4a,5,5a,9a-octahydrobenzo[g]quinoline-6,7-diol
CAS Number:
898-18-0
Molecular Formula:
C15H21NO2
Molecular Weight:
247.3327
IUPAC Name:
[hydroxymethyl-[4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyrimidin-2-yl]amino]methanol
InChI:
InChI=1S/C12H12N4O5/c17-7-15(8-18)12-13-6-5-9(14-12)1-2-10-3-4-11(21-10)16(19)20/h1-6,17-18H,7-8H2/b2-1+
InChI Key:
JMXHNVBNSBJLLD-OWOJBTEDSA-N
SMILES:
CCN1CCCC2C1=CC1C=CC(=C(C1C2)O)O
NSC Number:
529312
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
292.081g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
292.251g/mol
Monoisotopic Mass:
292.081g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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