AB74901
5041-81-6 | Isoliquiritin
Manufacturer: A2B Chem
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CatalogNumber
AB74901
ChemicalName
Isoliquiritin
CasNumber
5041-81-6
MolecularFormula
C21H22O9
MolecularWeight
418.394
MdlNumber
MFCD00272145
Smiles
OC[C@H]1O[C@@H](Oc2ccc(cc2)/C=C/C(=O)c2ccc(cc2O)O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity
589
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
5
DefinedBondStereocenterCount
1
HeavyAtomCount
30
HydrogenBondAcceptorCount
9
HydrogenBondDonorCount
6
RotatableBondCount
6
Xlogp3
1.7
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CatalogNumber: AB74901
ChemicalName: Isoliquiritin
CasNumber: 5041-81-6
MolecularFormula: C21H22O9
MolecularWeight: 418.394
MdlNumber: MFCD00272145
Smiles: OC[C@H]1O[C@@H](Oc2ccc(cc2)/C=C/C(=O)c2ccc(cc2O)O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity: 589
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 5
DefinedBondStereocenterCount: 1
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 6
RotatableBondCount: 6
Xlogp3: 1.7
CatalogNumber:
AB74901
ChemicalName:
Isoliquiritin
CasNumber:
5041-81-6
MolecularFormula:
C21H22O9
MolecularWeight:
418.394
MdlNumber:
MFCD00272145
Smiles:
OC[C@H]1O[C@@H](Oc2ccc(cc2)/C=C/C(=O)c2ccc(cc2O)O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity:
589
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
5
DefinedBondStereocenterCount:
1
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
6
RotatableBondCount:
6
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCC1O[C@H](OCC2OC(O)C([C@H]([C@@H]2O)O)O)C([C@H]([C@@H]1O)O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCC1O[C@H](OCC2OC(O)C([C@H]([C@@H]2O)O)O)C([C@H]([C@@H]1O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB74903
ChemicalName: Isonicotinic acid allyl ester
CasNumber: 25635-24-9
MolecularFormula: C9H9NO2
MolecularWeight: 163.1733
MdlNumber: MFCD00059786
Smiles: C=CCOC(=O)c1ccncc1
Complexity: 162
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 1.3
CatalogNumber:
AB74903
ChemicalName:
Isonicotinic acid allyl ester
CasNumber:
25635-24-9
MolecularFormula:
C9H9NO2
MolecularWeight:
163.1733
MdlNumber:
MFCD00059786
Smiles:
C=CCOC(=O)c1ccncc1
Complexity:
162
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1ccncc1)OC(=O)c1ccncc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1ccncc1)OC(=O)c1ccncc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__