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78541-81-8 | (4ar,10bs)-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline-7,8-diol
CAS No: 78541-81-8 Catalog No: AG0052TK MDL No:
Product Description
Catalog Number:
AG0052TK
Chemical Name:
(4ar,10bs)-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline-7,8-diol
CAS Number:
78541-81-8
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
IUPAC Name:
(4aR,10bS)-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline-7,8-diol
InChI:
InChI=1S/C13H17NO2/c15-12-6-4-8-9-2-1-7-14-11(9)5-3-10(8)13(12)16/h4,6,9,11,14-16H,1-3,5,7H2/t9-,11+/m0/s1
InChI Key:
NMEWFOHCMGSVTR-GXSJLCMTSA-N
SMILES:
Oc1ccc2c(c1O)CC[C@@H]1[C@H]2CCCN1
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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