AE95481
1577222-14-0 | 2-(2,5-Dioxopyrrolidin-1-yl)ethyl methyl fumarate
Manufacturer: A2B Chem
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CatalogNumber
AE95481
ChemicalName
2-(2,5-Dioxopyrrolidin-1-yl)ethyl methyl fumarate
CasNumber
1577222-14-0
MolecularFormula
C11H13NO6
MolecularWeight
255.224
MdlNumber
MFCD28502263
Smiles
COC(=O)/C=C/C(=O)OCCN1C(=O)CCC1=O
Complexity
384
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
6
RotatableBondCount
7
Xlogp3
-0.9
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CatalogNumber: AE95481
ChemicalName: 2-(2,5-Dioxopyrrolidin-1-yl)ethyl methyl fumarate
CasNumber: 1577222-14-0
MolecularFormula: C11H13NO6
MolecularWeight: 255.224
MdlNumber: MFCD28502263
Smiles: COC(=O)/C=C/C(=O)OCCN1C(=O)CCC1=O
Complexity: 384
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 6
RotatableBondCount: 7
Xlogp3: -0.9
CatalogNumber:
AE95481
ChemicalName:
2-(2,5-Dioxopyrrolidin-1-yl)ethyl methyl fumarate
CasNumber:
1577222-14-0
MolecularFormula:
C11H13NO6
MolecularWeight:
255.224
MdlNumber:
MFCD28502263
Smiles:
COC(=O)/C=C/C(=O)OCCN1C(=O)CCC1=O
Complexity:
384
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
6
RotatableBondCount:
7
Xlogp3:
-0.9
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Smiles: CC1CC2(CC(C1OC)C)CC3=C(C2=O)C=C(C=C3)Br
Complexity: __
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Smiles:
CC1CC2(CC(C1OC)C)CC3=C(C2=O)C=C(C=C3)Br
Complexity:
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Smiles: [O-][N+](=O)c1cc(C)c(cc1NS(=O)(=O)c1cccc(c1)C(=O)O)c1cccnc1
Complexity: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
[O-][N+](=O)c1cc(C)c(cc1NS(=O)(=O)c1cccc(c1)C(=O)O)c1cccnc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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