AB74106
6362-63-6 | Ethyl 3-cyano-3-phenylpyruvate
Manufacturer: A2B Chem
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CatalogNumber
AB74106
ChemicalName
Ethyl 3-cyano-3-phenylpyruvate
CasNumber
6362-63-6
MolecularFormula
C12H11NO3
MolecularWeight
217.2206
MdlNumber
MFCD00145013
Smiles
CCOC(=O)C(=O)C(c1ccccc1)C#N
NscNumber
31650
Complexity
310
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
1.9
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CatalogNumber: AB74106
ChemicalName: Ethyl 3-cyano-3-phenylpyruvate
CasNumber: 6362-63-6
MolecularFormula: C12H11NO3
MolecularWeight: 217.2206
MdlNumber: MFCD00145013
Smiles: CCOC(=O)C(=O)C(c1ccccc1)C#N
NscNumber: 31650
Complexity: 310
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.9
CatalogNumber:
AB74106
ChemicalName:
Ethyl 3-cyano-3-phenylpyruvate
CasNumber:
6362-63-6
MolecularFormula:
C12H11NO3
MolecularWeight:
217.2206
MdlNumber:
MFCD00145013
Smiles:
CCOC(=O)C(=O)C(c1ccccc1)C#N
NscNumber:
31650
Complexity:
310
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.9
CatalogNumber: AB74107
ChemicalName: Ethyl 3-hydroxy-3-phenylpropanoate
CasNumber: 5764-85-2
MolecularFormula: C11H14O3
MolecularWeight: 194.2271
MdlNumber: MFCD00086891
Smiles: CCOC(=O)CC(c1ccccc1)O
NscNumber: 226071
Complexity: 173
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.3
CatalogNumber:
AB74107
ChemicalName:
Ethyl 3-hydroxy-3-phenylpropanoate
CasNumber:
5764-85-2
MolecularFormula:
C11H14O3
MolecularWeight:
194.2271
MdlNumber:
MFCD00086891
Smiles:
CCOC(=O)CC(c1ccccc1)O
NscNumber:
226071
Complexity:
173
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.3
CatalogNumber: AB74108
ChemicalName: Ethyl 5-bromothiazole-4-carboxylate
CasNumber: 61830-23-7
MolecularFormula: C6H6BrNO2S
MolecularWeight: 236.08634
MdlNumber: MFCD10699175
Smiles: CCOC(=O)c1ncsc1Br
NscNumber: __
Complexity: 156
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 2.5
CatalogNumber:
AB74108
ChemicalName:
Ethyl 5-bromothiazole-4-carboxylate
CasNumber:
61830-23-7
MolecularFormula:
C6H6BrNO2S
MolecularWeight:
236.08634
MdlNumber:
MFCD10699175
Smiles:
CCOC(=O)c1ncsc1Br
NscNumber:
__
Complexity:
156
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [2H]c1c([2H])c([2H])c(c(c1[2H])[2H])C(C([2H])([2H])[2H])([2H])[2H]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[2H]c1c([2H])c([2H])c(c(c1[2H])[2H])C(C([2H])([2H])[2H])([2H])[2H]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__