AB25079
24584-09-6 | 4-[(2S)-2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione
Manufacturer: A2B Chem
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CatalogNumber
AB25079
ChemicalName
4-[(2S)-2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione
CasNumber
24584-09-6
MolecularFormula
C11H16N4O4
MolecularWeight
268.2691
MdlNumber
MFCD00866449
Smiles
O=C1NC(=O)CN(C1)C[C@@H](N1CC(=O)NC(=O)C1)C
NscNumber
169780
Complexity
404
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
-1.4
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CatalogNumber: AB25079
ChemicalName: 4-[(2S)-2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione
CasNumber: 24584-09-6
MolecularFormula: C11H16N4O4
MolecularWeight: 268.2691
MdlNumber: MFCD00866449
Smiles: O=C1NC(=O)CN(C1)C[C@@H](N1CC(=O)NC(=O)C1)C
NscNumber: 169780
Complexity: 404
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: -1.4
CatalogNumber:
AB25079
ChemicalName:
4-[(2S)-2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione
CasNumber:
24584-09-6
MolecularFormula:
C11H16N4O4
MolecularWeight:
268.2691
MdlNumber:
MFCD00866449
Smiles:
O=C1NC(=O)CN(C1)C[C@@H](N1CC(=O)NC(=O)C1)C
NscNumber:
169780
Complexity:
404
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
-1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1ccccc1OCC(=O)N
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1ccccc1OCC(=O)N
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB25088
ChemicalName: Methyl 3-formyl-4-hydroxybenzoate
CasNumber: 24589-99-9
MolecularFormula: C9H8O4
MolecularWeight: 180.15741999999997
MdlNumber: MFCD01661473
Smiles: COC(=O)c1ccc(c(c1)C=O)O
NscNumber: __
Complexity: 202
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.4
CatalogNumber:
AB25088
ChemicalName:
Methyl 3-formyl-4-hydroxybenzoate
CasNumber:
24589-99-9
MolecularFormula:
C9H8O4
MolecularWeight:
180.15741999999997
MdlNumber:
MFCD01661473
Smiles:
COC(=O)c1ccc(c(c1)C=O)O
NscNumber:
__
Complexity:
202
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc(c(c1)O)C=O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(c(c1)O)C=O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__