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30891-90-8 | 12H-[1]Benzopyrano[2,3-g]indolizin-12-one, 1,2,3,5,6,6a,12a,12b-octahydro-11-methyl-, (6aR,12aR,12bR)-
CAS No: 30891-90-8 Catalog No: AG0031M5 MDL No:
Product Description
Catalog Number:
AG0031M5
Chemical Name:
12H-[1]Benzopyrano[2,3-g]indolizin-12-one, 1,2,3,5,6,6a,12a,12b-octahydro-11-methyl-, (6aR,12aR,12bR)-
CAS Number:
30891-90-8
Molecular Formula:
C16H19NO2
Molecular Weight:
257.3276
IUPAC Name:
(6aR,12aR,12bR)-11-methyl-1,2,3,5,6,6a,12a,12b-octahydrochromeno[2,3-g]indolizin-12-one
InChI:
InChI=1S/C16H19NO2/c1-10-4-2-6-12-14(10)16(18)15-11-5-3-8-17(11)9-7-13(15)19-12/h2,4,6,11,13,15H,3,5,7-9H2,1H3/t11-,13-,15-/m1/s1
InChI Key:
DXTYYNIKCKARPP-UXIGCNINSA-N
SMILES:
Cc1cccc2c1C(=O)[C@H]1[C@H](O2)CCN2[C@@H]1CCC2
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
257.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.333g/mol
Monoisotopic Mass:
257.142g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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