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65850-12-6 | 2,7(1H,3H)-Quinolinedione, hexahydro-1-(phenylmethyl)-, cis-
CAS No: 65850-12-6 Catalog No: AG006N66 MDL No:
Product Description
Catalog Number:
AG006N66
Chemical Name:
2,7(1H,3H)-Quinolinedione, hexahydro-1-(phenylmethyl)-, cis-
CAS Number:
65850-12-6
Molecular Formula:
C16H19NO2
Molecular Weight:
257.3276
IUPAC Name:
(4aS,8aS)-1-benzyl-4,4a,5,6,8,8a-hexahydro-3H-quinoline-2,7-dione
InChI:
InChI=1S/C16H19NO2/c18-14-8-6-13-7-9-16(19)17(15(13)10-14)11-12-4-2-1-3-5-12/h1-5,13,15H,6-11H2/t13-,15-/m0/s1
InChI Key:
GVTHMAUDMNJDLT-ZFWWWQNUSA-N
SMILES:
O=C1CC[C@@H]2[C@H](C1)N(Cc1ccccc1)C(=O)CC2
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
257.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.333g/mol
Monoisotopic Mass:
257.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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