AB65686
23936-04-1 | 4-(2-Hydroxyethyl)-piperazin-2-one
Manufacturer: A2B Chem
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CatalogNumber
AB65686
ChemicalName
4-(2-Hydroxyethyl)-piperazin-2-one
CasNumber
23936-04-1
MolecularFormula
C6H12N2O2
MolecularWeight
144.1717
MdlNumber
MFCD04038634
Smiles
OCCN1CCNC(=O)C1
Complexity
127
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
-1.3
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CatalogNumber: AB65686
ChemicalName: 4-(2-Hydroxyethyl)-piperazin-2-one
CasNumber: 23936-04-1
MolecularFormula: C6H12N2O2
MolecularWeight: 144.1717
MdlNumber: MFCD04038634
Smiles: OCCN1CCNC(=O)C1
Complexity: 127
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: -1.3
CatalogNumber:
AB65686
ChemicalName:
4-(2-Hydroxyethyl)-piperazin-2-one
CasNumber:
23936-04-1
MolecularFormula:
C6H12N2O2
MolecularWeight:
144.1717
MdlNumber:
MFCD04038634
Smiles:
OCCN1CCNC(=O)C1
Complexity:
127
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
-1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB65688
ChemicalName: 4-(1H-Imidazol-2-yl)benzoic acid
CasNumber: 108035-45-6
MolecularFormula: C10H8N2O2
MolecularWeight: 188.1827
MdlNumber: MFCD00456057
Smiles: OC(=O)c1ccc(cc1)c1ncc[nH]1
Complexity: 212
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 1.4
CatalogNumber:
AB65688
ChemicalName:
4-(1H-Imidazol-2-yl)benzoic acid
CasNumber:
108035-45-6
MolecularFormula:
C10H8N2O2
MolecularWeight:
188.1827
MdlNumber:
MFCD00456057
Smiles:
OC(=O)c1ccc(cc1)c1ncc[nH]1
Complexity:
212
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ICC(=O)NC1CC(C)(C)N(C(C1)(C)C)[O]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ICC(=O)NC1CC(C)(C)N(C(C1)(C)C)[O]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__