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87842-70-4 | 3(2H)-Indolizinone, 1,7,8,8a-tetrahydro-7-methyl-, trans-
CAS No: 87842-70-4 Catalog No: AG004JG3 MDL No:
Product Description
Catalog Number:
AG004JG3
Chemical Name:
3(2H)-Indolizinone, 1,7,8,8a-tetrahydro-7-methyl-, trans-
CAS Number:
87842-70-4
Molecular Formula:
C9H13NO
Molecular Weight:
151.2056
IUPAC Name:
(7S,8aR)-7-methyl-2,7,8,8a-tetrahydro-1H-indolizin-3-one
InChI:
InChI=1S/C9H13NO/c1-7-4-5-10-8(6-7)2-3-9(10)11/h4-5,7-8H,2-3,6H2,1H3/t7-,8-/m1/s1
InChI Key:
PMKYKBGWLDZNBI-HTQZYQBOSA-N
SMILES:
C[C@@H]1C=CN2[C@@H](C1)CCC2=O
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
151.1g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.209g/mol
Monoisotopic Mass:
151.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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