AI52250
546-43-0 | Alantolactone
Manufacturer: A2B Chem
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CatalogNumber
AI52250
ChemicalName
Alantolactone
CasNumber
546-43-0
MolecularFormula
C15H20O2
MolecularWeight
232.3181
MdlNumber
MFCD00274568
Smiles
C[C@H]1CCC[C@]2(C1=C[C@H]1[C@@H](C2)OC(=O)C1=C)C
NscNumber
93131
Complexity
421
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
4
HeavyAtomCount
17
HydrogenBondAcceptorCount
2
Xlogp3
3.7
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CatalogNumber: AI52250
ChemicalName: Alantolactone
CasNumber: 546-43-0
MolecularFormula: C15H20O2
MolecularWeight: 232.3181
MdlNumber: MFCD00274568
Smiles: C[C@H]1CCC[C@]2(C1=C[C@H]1[C@@H](C2)OC(=O)C1=C)C
NscNumber: 93131
Complexity: 421
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 4
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
Xlogp3: 3.7
CatalogNumber:
AI52250
ChemicalName:
Alantolactone
CasNumber:
546-43-0
MolecularFormula:
C15H20O2
MolecularWeight:
232.3181
MdlNumber:
MFCD00274568
Smiles:
C[C@H]1CCC[C@]2(C1=C[C@H]1[C@@H](C2)OC(=O)C1=C)C
NscNumber:
93131
Complexity:
421
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
4
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
Xlogp3:
3.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[Si]1(O[Si](C)(O[Si](O1)(C)c1ccccc1)c1ccccc1)c1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[Si]1(O[Si](C)(O[Si](O1)(C)c1ccccc1)c1ccccc1)c1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1C[C@]2([C@@H]([C@H]1C)C2)C(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1C[C@]2([C@@H]([C@H]1C)C2)C(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
__
CatalogNumber: AI52253
ChemicalName: 1-Phenyl-1H-pyrazole-4-carbaldehyde
CasNumber: 54605-72-0
MolecularFormula: C10H8N2O
MolecularWeight: 172.1833
MdlNumber: MFCD28969563
Smiles: O=Cc1cnn(c1)c1ccccc1
NscNumber: __
Complexity: 178
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
Xlogp3: 1.4
CatalogNumber:
AI52253
ChemicalName:
1-Phenyl-1H-pyrazole-4-carbaldehyde
CasNumber:
54605-72-0
MolecularFormula:
C10H8N2O
MolecularWeight:
172.1833
MdlNumber:
MFCD28969563
Smiles:
O=Cc1cnn(c1)c1ccccc1
NscNumber:
__
Complexity:
178
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
Xlogp3:
1.4