AC97890
90417-31-5 | Ethyl 5-cyanonicotinate
Manufacturer: A2B Chem
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CatalogNumber
AC97890
ChemicalName
Ethyl 5-cyanonicotinate
CasNumber
90417-31-5
MolecularFormula
C9H8N2O2
MolecularWeight
176.172
MdlNumber
MFCD03426709
Smiles
CCOC(=O)c1cncc(c1)C#N
NscNumber
620233
Complexity
231
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
0.8
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CatalogNumber: AC97890
ChemicalName: Ethyl 5-cyanonicotinate
CasNumber: 90417-31-5
MolecularFormula: C9H8N2O2
MolecularWeight: 176.172
MdlNumber: MFCD03426709
Smiles: CCOC(=O)c1cncc(c1)C#N
NscNumber: 620233
Complexity: 231
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 0.8
CatalogNumber:
AC97890
ChemicalName:
Ethyl 5-cyanonicotinate
CasNumber:
90417-31-5
MolecularFormula:
C9H8N2O2
MolecularWeight:
176.172
MdlNumber:
MFCD03426709
Smiles:
CCOC(=O)c1cncc(c1)C#N
NscNumber:
620233
Complexity:
231
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(Cc1onc(c1C(=O)Cl)C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(Cc1onc(c1C(=O)Cl)C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [2H]c1nc2c(c(c1[2H])[2H])c([2H])c(c1c2nc([2H])c(c1[2H])[2H])[2H]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[2H]c1nc2c(c(c1[2H])[2H])c([2H])c(c1c2nc([2H])c(c1[2H])[2H])[2H]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(OC(C)(C)C)Nc1cccc(c1)c1cccc(c1)C(=O)O
NscNumber: __
Complexity: 429
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(OC(C)(C)C)Nc1cccc(c1)c1cccc(c1)C(=O)O
NscNumber:
__
Complexity:
429
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.6