AB26658
2492-87-7 | 4-Nitrophenyl beta-d-glucopyranoside monohydrate
Manufacturer: A2B Chem
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CatalogNumber
AB26658
ChemicalName
4-Nitrophenyl beta-d-glucopyranoside monohydrate
CasNumber
2492-87-7
MolecularFormula
C12H15NO8
MolecularWeight
301.2494
MdlNumber
MFCD09998207
Smiles
OC[C@H]1O[C@@H](Oc2ccc(cc2)[N+](=O)[O-])[C@@H]([C@H]([C@@H]1O)O)O
Complexity
354
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
5
HeavyAtomCount
21
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
4
RotatableBondCount
3
Xlogp3
-0.4
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CatalogNumber: AB26658
ChemicalName: 4-Nitrophenyl beta-d-glucopyranoside monohydrate
CasNumber: 2492-87-7
MolecularFormula: C12H15NO8
MolecularWeight: 301.2494
MdlNumber: MFCD09998207
Smiles: OC[C@H]1O[C@@H](Oc2ccc(cc2)[N+](=O)[O-])[C@@H]([C@H]([C@@H]1O)O)O
Complexity: 354
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 5
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 4
RotatableBondCount: 3
Xlogp3: -0.4
CatalogNumber:
AB26658
ChemicalName:
4-Nitrophenyl beta-d-glucopyranoside monohydrate
CasNumber:
2492-87-7
MolecularFormula:
C12H15NO8
MolecularWeight:
301.2494
MdlNumber:
MFCD09998207
Smiles:
OC[C@H]1O[C@@H](Oc2ccc(cc2)[N+](=O)[O-])[C@@H]([C@H]([C@@H]1O)O)O
Complexity:
354
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
5
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
4
RotatableBondCount:
3
Xlogp3:
-0.4
CatalogNumber: __
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MolecularFormula: __
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Smiles: NCCc1ccc(cc1)Cl.Cl
Complexity: __
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__
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Smiles:
NCCc1ccc(cc1)Cl.Cl
Complexity:
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DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CCCCC(=O)C(=O)O
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Xlogp3: __
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ChemicalName:
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MolecularFormula:
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MolecularWeight:
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Smiles:
CCCCC(=O)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: CCC(=O)/C=C/C=O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC(=O)/C=C/C=O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__