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Home > Indoles and Oxindole > 89044-62-2
89044-62-2 | 1(5H)-Indolizinone, 6,7,8,8a-tetrahydro-8a-hydroxy-5-methyl-
CAS No: 89044-62-2 Catalog No: AG0041QQ MDL No:MFCD24693289
Product Description
Catalog Number:
AG0041QQ
Chemical Name:
1(5H)-Indolizinone, 6,7,8,8a-tetrahydro-8a-hydroxy-5-methyl-
CAS Number:
89044-62-2
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
MDL Number:
MFCD24693289
IUPAC Name:
8a-hydroxy-5-methyl-5,6,7,8-tetrahydroindolizin-1-one
InChI:
InChI=1S/C9H13NO2/c1-7-3-2-5-9(12)8(11)4-6-10(7)9/h4,6-7,12H,2-3,5H2,1H3
InChI Key:
NINIMCMBQXAIBC-UHFFFAOYSA-N
SMILES:
CC1CCCC2(N1C=CC2=O)O
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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