AF28270
25021-08-3 | 2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AF28270
ChemicalName
2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetic acid
CasNumber
25021-08-3
MolecularFormula
C6H5NO4
MolecularWeight
155.1082
MdlNumber
MFCD00457254
Smiles
OC(=O)CN1C(=O)C=CC1=O
NscNumber
266055
Complexity
237
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
-0.1
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CatalogNumber: AF28270
ChemicalName: 2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetic acid
CasNumber: 25021-08-3
MolecularFormula: C6H5NO4
MolecularWeight: 155.1082
MdlNumber: MFCD00457254
Smiles: OC(=O)CN1C(=O)C=CC1=O
NscNumber: 266055
Complexity: 237
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -0.1
CatalogNumber:
AF28270
ChemicalName:
2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetic acid
CasNumber:
25021-08-3
MolecularFormula:
C6H5NO4
MolecularWeight:
155.1082
MdlNumber:
MFCD00457254
Smiles:
OC(=O)CN1C(=O)C=CC1=O
NscNumber:
266055
Complexity:
237
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-0.1
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Smiles: CCCCC(C(=O)OCC)CC
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CCCCC(C(=O)OCC)CC
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Smiles: OC[C@@]12O[C@H]2[C@H]([C@H]2[C@@H]1[C@@H](OC=C2)O[C@@H]1O[C@H](COC(=O)/C=C/c2ccccc2)[C@H]([C@@H]([C@H]1O)O)O)O
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Smiles:
OC[C@@]12O[C@H]2[C@H]([C@H]2[C@@H]1[C@@H](OC=C2)O[C@@H]1O[C@H](COC(=O)/C=C/c2ccccc2)[C@H]([C@@H]([C@H]1O)O)O)O
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RotatableBondCount:
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Smiles: OCC(=CCCC(=CCc1cc(O)c(cc1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C)C)C
NscNumber: __
Complexity: __
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HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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ChemicalName:
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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:
OCC(=CCCC(=CCc1cc(O)c(cc1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C)C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__