AA05689
101469-91-4 | (S)-1-Benzyl-3-hydroxypyrrolidine-2,5-dione
Manufacturer: A2B Chem
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CatalogNumber
AA05689
ChemicalName
(S)-1-Benzyl-3-hydroxypyrrolidine-2,5-dione
CasNumber
101469-91-4
MolecularFormula
C11H11NO3
MolecularWeight
205.20994
MdlNumber
MFCD08275390
Smiles
O[C@H]1CC(=O)N(C1=O)Cc1ccccc1
Complexity
271
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.1
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CatalogNumber: AA05689
ChemicalName: (S)-1-Benzyl-3-hydroxypyrrolidine-2,5-dione
CasNumber: 101469-91-4
MolecularFormula: C11H11NO3
MolecularWeight: 205.20994
MdlNumber: MFCD08275390
Smiles: O[C@H]1CC(=O)N(C1=O)Cc1ccccc1
Complexity: 271
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.1
CatalogNumber:
AA05689
ChemicalName:
(S)-1-Benzyl-3-hydroxypyrrolidine-2,5-dione
CasNumber:
101469-91-4
MolecularFormula:
C11H11NO3
MolecularWeight:
205.20994
MdlNumber:
MFCD08275390
Smiles:
O[C@H]1CC(=O)N(C1=O)Cc1ccccc1
Complexity:
271
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.1
CatalogNumber: __
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Smiles: Oc1ccc(cc1)Cc1coc2c(c1=O)c(O)cc(c2)O
Complexity: __
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Smiles:
Oc1ccc(cc1)Cc1coc2c(c1=O)c(O)cc(c2)O
Complexity:
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Smiles: COc1cc2[C@@H](C)NCCc2cc1O
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Smiles:
COc1cc2[C@@H](C)NCCc2cc1O
Complexity:
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CCOC(=O)C=CC1=CC=C(C=C1)C(F)(F)F
Complexity: __
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DefinedAtomStereocenterCount: __
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HydrogenBondAcceptorCount: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CCOC(=O)C=CC1=CC=C(C=C1)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__