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1256643-48-7 molecular structure
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(3aR,6aS)-2-methyl-octahydropyrrolo[3,4-c]pyrrole-1,3-dione

ChemBase ID: 309230
Molecular Formular: C7H10N2O2
Molecular Mass: 154.1665
Monoisotopic Mass: 154.07422757
SMILES and InChIs

SMILES:
N1(C(=O)[C@@H]2[C@H](C1=O)CNC2)C
Canonical SMILES:
CN1C(=O)[C@@H]2[C@H](C1=O)CNC2
InChI:
InChI=1S/C7H10N2O2/c1-9-6(10)4-2-8-3-5(4)7(9)11/h4-5,8H,2-3H2,1H3/t4-,5+
InChIKey:
QORSINSMFQKJDX-SYDPRGILSA-N

Cite this record

CBID:309230 http://www.chembase.cn/molecule-309230.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3aR,6aS)-2-methyl-octahydropyrrolo[3,4-c]pyrrole-1,3-dione
IUPAC Traditional name
(3aR,6aS)-2-methyl-tetrahydro-3aH-pyrrolo[3,4-c]pyrrole-1,3-dione
Synonyms
rac-(3aR,6aS)-2-methyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione
CAS Number
1256643-48-7
MDL Number
MFCD18381904

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.625388  LogD (pH = 7.4) -4.0093956 
Log P -1.4010895  Molar Refractivity 38.0473 cm3
Polarizability 15.029649 Å3 Polar Surface Area 49.41 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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