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Iridotrial,LMPR01020105,C06070, 2-(2-formyl-3-methylcyclopentyl)propan

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摘 要:Iridotrial,LMPR01020105,C06070, 2-(2-formyl-3-methylcyclopentyl)propanedial,Canonical SMILES: CC1CCC(C1C=O)C(C=O)C=O,InChI: InChI=1/C10H14O3/c1-7-2-3-9(10(7)6-13)8(4-11)5-12/h4-10H,2-3H2,1H3,Molecular Weight182.21636 [g/mol]Molecular FormulaC10H14O3X
[Synonyms]
Iridotrial
LMPR01020105
C06070

[Structure]
Iridotrial,LMPR01020105,C06070, 2-(2-formyl-3-methylcyclopentyl)propan

[ Properties Computed from Structure]
Molecular Weight182.21636 [g/mol]
Molecular FormulaC10H14O3
XLogP2.2
H-Bond Donor0
H-Bond Acceptor3
Rotatable Bond Count4
Tautomer Count4
Exact Mass182.094294
MonoIsotopic Mass182.094294
Topological Polar Surface Area51.2
Heavy Atom Count13
Formal Charge0
Complexity204
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count3
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2-(2-formyl-3-methylcyclopentyl)propanedial
Canonical SMILES: CC1CCC(C1C=O)C(C=O)C=O
InChI: InChI=1/C10H14O3/c1-7-2-3-9(10(7)6-13)8(4-11)5-12/h4-10H,2-3H2,1H3

 
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