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Home >> Chemical Listing >> Page 261 >> [(1S,2R,3S)-3-Methyl-2-(Nitromethyl)-5-Oxocyclopentyl]Acetic Acid

[(1S,2R,3S)-3-Methyl-2-(Nitromethyl)-5-Oxocyclopentyl]Acetic Acid
[CAS# 123000-45-3]

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Identification
Name [(1S,2R,3S)-3-Methyl-2-(Nitromethyl)-5-Oxocyclopentyl]Acetic Acid
Synonyms [1S-(1β,2α,3β)]-(+)-3-Methyl-2-(nitromethyl)-5-oxocyclopentaneacetic acid; 647497_ALDRICH
Molecular Structure CAS#: 123000-45-3, [(1S,2R,3S)-3-Methyl-2-(Nitromethyl)-5-Oxocyclopentyl]Acetic Acid
Molecular Formula C9H13NO5
Molecular Weight 215.20
CAS Registry Number 123000-45-3
SMILES O=[N+]([O-])C[C@H]1[C@@H](C(=O)C[C@@H]1C)CC(=O)O
InChI 1S/C9H13NO5/c1-5-2-8(11)6(3-9(12)13)7(5)4-10(14)15/h5-7H,2-4H2,1H3,(H,12,13)/t5-,6-,7+/m0/s1
InChIKey YPCIKCQPODDZAT-LYFYHCNISA-N
Properties
Density 1.257g/cm3 (Cal.)
Boiling point 433.122°C at 760 mmHg (Cal.)
Flash point 190.513°C (Cal.)
Refractive index 1.49 (Cal.)
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