AE10684
1052209-96-7 | (5S)-5-Phenylmorpholin-3-one
Manufacturer: A2B Chem
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CatalogNumber
AE10684
ChemicalName
(5S)-5-Phenylmorpholin-3-one
CasNumber
1052209-96-7
MolecularFormula
C10H11NO2
MolecularWeight
177.1998
MdlNumber
MFCD19442818
Smiles
O=C1COC[C@@H](N1)c1ccccc1
Complexity
187
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.7
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CatalogNumber: AE10684
ChemicalName: (5S)-5-Phenylmorpholin-3-one
CasNumber: 1052209-96-7
MolecularFormula: C10H11NO2
MolecularWeight: 177.1998
MdlNumber: MFCD19442818
Smiles: O=C1COC[C@@H](N1)c1ccccc1
Complexity: 187
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.7
CatalogNumber:
AE10684
ChemicalName:
(5S)-5-Phenylmorpholin-3-one
CasNumber:
1052209-96-7
MolecularFormula:
C10H11NO2
MolecularWeight:
177.1998
MdlNumber:
MFCD19442818
Smiles:
O=C1COC[C@@H](N1)c1ccccc1
Complexity:
187
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.7
CatalogNumber: __
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Smiles: CCC(=O)N(c1c([2H])c([2H])c(c(c1[2H])[2H])[2H])C1CCNCC1
Complexity: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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Smiles:
CCC(=O)N(c1c([2H])c([2H])c(c(c1[2H])[2H])[2H])C1CCNCC1
Complexity:
__
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: CN(Cc1ccc(o1)CSCCN/C(=C/[N+](=O)[O-])/[O-])C.[Na+]
Complexity: __
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Smiles:
CN(Cc1ccc(o1)CSCCN/C(=C/[N+](=O)[O-])/[O-])C.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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CasNumber: __
MolecularFormula: __
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Smiles: OC(=O)C(=O)O.NCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C(=O)O.NCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__