AI50962
481-72-1 | Aloe-emodin
Manufacturer: A2B Chem
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CatalogNumber
AI50962
ChemicalName
Aloe-emodin
CasNumber
481-72-1
MolecularFormula
C15H10O5
MolecularWeight
270.2369
MdlNumber
MFCD00017373
Smiles
OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1
NscNumber
38628
Complexity
421
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
1
Xlogp3
1.8
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CatalogNumber: AI50962
ChemicalName: Aloe-emodin
CasNumber: 481-72-1
MolecularFormula: C15H10O5
MolecularWeight: 270.2369
MdlNumber: MFCD00017373
Smiles: OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1
NscNumber: 38628
Complexity: 421
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 1
Xlogp3: 1.8
CatalogNumber:
AI50962
ChemicalName:
Aloe-emodin
CasNumber:
481-72-1
MolecularFormula:
C15H10O5
MolecularWeight:
270.2369
MdlNumber:
MFCD00017373
Smiles:
OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1
NscNumber:
38628
Complexity:
421
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
1
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: IC[C@H](C(=C)I)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
__
Smiles:
IC[C@H](C(=C)I)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1cnc2c(c1)ccc(c2)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1cnc2c(c1)ccc(c2)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(c1ccc(cc1)NS(=O)(=O)c1ccccc1)(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(c1ccc(cc1)NS(=O)(=O)c1ccccc1)(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__