AB54986
31752-99-5 | (-)-Corey lactone 4-phenylbenzoate alcohol
Manufacturer: A2B Chem
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CatalogNumber
AB54986
ChemicalName
(-)-Corey lactone 4-phenylbenzoate alcohol
CasNumber
31752-99-5
MolecularFormula
C21H20O5
MolecularWeight
352.3805
MdlNumber
MFCD00078077
Smiles
OC[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=O)O2)OC(=O)c1ccc(cc1)c1ccccc1
Complexity
519
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
4
HeavyAtomCount
26
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
3.1
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CatalogNumber: AB54986
ChemicalName: (-)-Corey lactone 4-phenylbenzoate alcohol
CasNumber: 31752-99-5
MolecularFormula: C21H20O5
MolecularWeight: 352.3805
MdlNumber: MFCD00078077
Smiles: OC[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=O)O2)OC(=O)c1ccc(cc1)c1ccccc1
Complexity: 519
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 4
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 3.1
CatalogNumber:
AB54986
ChemicalName:
(-)-Corey lactone 4-phenylbenzoate alcohol
CasNumber:
31752-99-5
MolecularFormula:
C21H20O5
MolecularWeight:
352.3805
MdlNumber:
MFCD00078077
Smiles:
OC[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=O)O2)OC(=O)c1ccc(cc1)c1ccccc1
Complexity:
519
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
4
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1C[C@@H]2[C@H](C1)[C@@H]1C[C@H]2CC1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
C1C[C@@H]2[C@H](C1)[C@@H]1C[C@H]2CC1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: CN1CC[C@H]2[C@@H]1CNC2
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
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Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
__
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Smiles:
CN1CC[C@H]2[C@@H]1CNC2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)N1C[C@H]2[C@@H](C1)CCN2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)N1C[C@H]2[C@@H](C1)CCN2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__