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87839-69-8 | Indeno[1,2-c]pyrazole, 1,3a,4,8b-tetrahydro-3-methyl-1-phenyl-, cis-
CAS No: 87839-69-8 Catalog No: AG004H73 MDL No:
Product Description
Catalog Number:
AG004H73
Chemical Name:
Indeno[1,2-c]pyrazole, 1,3a,4,8b-tetrahydro-3-methyl-1-phenyl-, cis-
CAS Number:
87839-69-8
Molecular Formula:
C17H16N2
Molecular Weight:
248.3223
IUPAC Name:
(3aR,8bR)-3-methyl-1-phenyl-4,8b-dihydro-3aH-indeno[1,2-c]pyrazole
InChI:
InChI=1S/C17H16N2/c1-12-16-11-13-7-5-6-10-15(13)17(16)19(18-12)14-8-3-2-4-9-14/h2-10,16-17H,11H2,1H3/t16-,17-/m0/s1
InChI Key:
QLFJVYHPHQCHMP-IRXDYDNUSA-N
SMILES:
CC1=NN([C@@H]2[C@H]1Cc1c2cccc1)c1ccccc1
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
248.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.329g/mol
Monoisotopic Mass:
248.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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