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Home > Aldehydes > 119459-68-6
119459-68-6 | 2H-Quinolizine-3-carboxaldehyde, 6-(3-furanyl)-1,6,7,8,9,9a-hexahydro-9-(hydroxymethyl)-, (6S,9R,9aS)-
CAS No: 119459-68-6 Catalog No: AG000IUF MDL No:
Product Description
Catalog Number:
AG000IUF
Chemical Name:
2H-Quinolizine-3-carboxaldehyde, 6-(3-furanyl)-1,6,7,8,9,9a-hexahydro-9-(hydroxymethyl)-, (6S,9R,9aS)-
CAS Number:
119459-68-6
Molecular Formula:
C15H19NO3
Molecular Weight:
261.3163
IUPAC Name:
6-(furan-3-yl)-9-(hydroxymethyl)-2,6,7,8,9,9a-hexahydro-1H-quinolizine-3-carbaldehyde
InChI:
InChI=1S/C15H19NO3/c17-8-11-1-3-14-12(9-18)2-4-15(16(14)7-11)13-5-6-19-10-13/h5-8,10,12,14-15,18H,1-4,9H2
InChI Key:
MBJDYNFDJNNEHX-UHFFFAOYSA-N
SMILES:
O=CC1=CN2[C@@H](CC1)[C@H](CO)CC[C@H]2c1ccoc1
NSC Number:
625620
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.321g/mol
Monoisotopic Mass:
261.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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