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87842-73-7 | 3(2H)-Indolizinone, 1,7,8,8a-tetrahydro-5,7-dimethyl-, cis-
CAS No: 87842-73-7 Catalog No: AG004GZL MDL No:
Product Description
Catalog Number:
AG004GZL
Chemical Name:
3(2H)-Indolizinone, 1,7,8,8a-tetrahydro-5,7-dimethyl-, cis-
CAS Number:
87842-73-7
Molecular Formula:
C10H15NO
Molecular Weight:
165.2322
IUPAC Name:
(7S,8aS)-5,7-dimethyl-2,7,8,8a-tetrahydro-1H-indolizin-3-one
InChI:
InChI=1S/C10H15NO/c1-7-5-8(2)11-9(6-7)3-4-10(11)12/h5,7,9H,3-4,6H2,1-2H3/t7-,9+/m1/s1
InChI Key:
CNQGQKGGLSBCDS-APPZFPTMSA-N
SMILES:
C[C@H]1C[C@@H]2CCC(=O)N2C(=C1)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
165.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.236g/mol
Monoisotopic Mass:
165.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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