AB46025
312745-91-8 | Ethyl (s)-4-cyano-3-hydroxybutyrate
Manufacturer: A2B Chem
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CatalogNumber
AB46025
ChemicalName
Ethyl (s)-4-cyano-3-hydroxybutyrate
CasNumber
312745-91-8
MolecularFormula
C7H11NO3
MolecularWeight
157.1671
MdlNumber
MFCD00672878
Smiles
CCOC(=O)C[C@H](CC#N)O
Complexity
170
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
-0.5
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CatalogNumber: AB46025
ChemicalName: Ethyl (s)-4-cyano-3-hydroxybutyrate
CasNumber: 312745-91-8
MolecularFormula: C7H11NO3
MolecularWeight: 157.1671
MdlNumber: MFCD00672878
Smiles: CCOC(=O)C[C@H](CC#N)O
Complexity: 170
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: -0.5
CatalogNumber:
AB46025
ChemicalName:
Ethyl (s)-4-cyano-3-hydroxybutyrate
CasNumber:
312745-91-8
MolecularFormula:
C7H11NO3
MolecularWeight:
157.1671
MdlNumber:
MFCD00672878
Smiles:
CCOC(=O)C[C@H](CC#N)O
Complexity:
170
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
-0.5
CatalogNumber: AB46026
ChemicalName: Ethyl (triphenylphosphoranylidene) acetate
CasNumber: 1099-45-2
MolecularFormula: C22H21O2P
MolecularWeight: 348.3747
MdlNumber: MFCD00009183
Smiles: CCOC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
Complexity: 414
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 6
Xlogp3: 4.3
CatalogNumber:
AB46026
ChemicalName:
Ethyl (triphenylphosphoranylidene) acetate
CasNumber:
1099-45-2
MolecularFormula:
C22H21O2P
MolecularWeight:
348.3747
MdlNumber:
MFCD00009183
Smiles:
CCOC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
Complexity:
414
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
6
Xlogp3:
4.3
CatalogNumber: AB46027
ChemicalName: Ethyl 1,3-dimethyl-1H-pyrazole-5-carboxylate
CasNumber: 5744-40-1
MolecularFormula: C8H12N2O2
MolecularWeight: 168.1931
MdlNumber: MFCD00233452
Smiles: CCOC(=O)c1cc(nn1C)C
Complexity: 172
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 1.2
CatalogNumber:
AB46027
ChemicalName:
Ethyl 1,3-dimethyl-1H-pyrazole-5-carboxylate
CasNumber:
5744-40-1
MolecularFormula:
C8H12N2O2
MolecularWeight:
168.1931
MdlNumber:
MFCD00233452
Smiles:
CCOC(=O)c1cc(nn1C)C
Complexity:
172
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
1.2
CatalogNumber: AB46028
ChemicalName: Ethyl 1-benzyl-3-oxo-4-piperidinecarboxylate, HCl
CasNumber: 52763-21-0
MolecularFormula: C15H20ClNO3
MolecularWeight: 297.7772
MdlNumber: MFCD00012792
Smiles: CCOC(=O)C1CCN(CC1=O)Cc1ccccc1.Cl
Complexity: 323
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: __
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: __
CatalogNumber:
AB46028
ChemicalName:
Ethyl 1-benzyl-3-oxo-4-piperidinecarboxylate, HCl
CasNumber:
52763-21-0
MolecularFormula:
C15H20ClNO3
MolecularWeight:
297.7772
MdlNumber:
MFCD00012792
Smiles:
CCOC(=O)C1CCN(CC1=O)Cc1ccccc1.Cl
Complexity:
323
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
__