AI51046
490-46-0 | (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Manufacturer: A2B Chem
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CatalogNumber
AI51046
ChemicalName
(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
CasNumber
490-46-0
MolecularFormula
C15H14O6
MolecularWeight
290.2681
MdlNumber
MFCD00075648
Smiles
Oc1cc2O[C@H](c3ccc(c(c3)O)O)[C@@H](Cc2c(c1)O)O
Complexity
364
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
21
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
5
RotatableBondCount
1
Xlogp3
0.4
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CatalogNumber: AI51046
ChemicalName: (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
CasNumber: 490-46-0
MolecularFormula: C15H14O6
MolecularWeight: 290.2681
MdlNumber: MFCD00075648
Smiles: Oc1cc2O[C@H](c3ccc(c(c3)O)O)[C@@H](Cc2c(c1)O)O
Complexity: 364
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 5
RotatableBondCount: 1
Xlogp3: 0.4
CatalogNumber:
AI51046
ChemicalName:
(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
CasNumber:
490-46-0
MolecularFormula:
C15H14O6
MolecularWeight:
290.2681
MdlNumber:
MFCD00075648
Smiles:
Oc1cc2O[C@H](c3ccc(c(c3)O)O)[C@@H](Cc2c(c1)O)O
Complexity:
364
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
5
RotatableBondCount:
1
Xlogp3:
0.4
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Smiles: COC1=CC2=C(C=C1)C=C(C=C2)[N+](=O)[O-]
Complexity: __
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Smiles:
COC1=CC2=C(C=C1)C=C(C=C2)[N+](=O)[O-]
Complexity:
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Smiles: OC(=O)C[C@@H](c1cccc(c1)F)N.Cl
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MolecularWeight:
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MdlNumber:
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Smiles:
OC(=O)C[C@@H](c1cccc(c1)F)N.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: ONC1CCCC1
Complexity: __
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MolecularFormula:
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Smiles:
ONC1CCCC1
Complexity:
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Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__