AB75767
939793-19-8 | Methyl 3-cyanoindole-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB75767
ChemicalName
Methyl 3-cyanoindole-4-carboxylate
CasNumber
939793-19-8
MolecularFormula
C11H8N2O2
MolecularWeight
200.1934
MdlNumber
MFCD09260613
Smiles
COC(=O)c1cccc2c1c(C#N)c[nH]2
Complexity
307
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.6
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CatalogNumber: AB75767
ChemicalName: Methyl 3-cyanoindole-4-carboxylate
CasNumber: 939793-19-8
MolecularFormula: C11H8N2O2
MolecularWeight: 200.1934
MdlNumber: MFCD09260613
Smiles: COC(=O)c1cccc2c1c(C#N)c[nH]2
Complexity: 307
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AB75767
ChemicalName:
Methyl 3-cyanoindole-4-carboxylate
CasNumber:
939793-19-8
MolecularFormula:
C11H8N2O2
MolecularWeight:
200.1934
MdlNumber:
MFCD09260613
Smiles:
COC(=O)c1cccc2c1c(C#N)c[nH]2
Complexity:
307
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)CC(c1ccc(cc1)O)C#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)CC(c1ccc(cc1)O)C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB75769
ChemicalName: Methyl 3-cyanobenzoate
CasNumber: 13531-48-1
MolecularFormula: C9H7NO2
MolecularWeight: 161.1574
MdlNumber: MFCD00220156
Smiles: COC(=O)c1cccc(c1)C#N
Complexity: 216
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AB75769
ChemicalName:
Methyl 3-cyanobenzoate
CasNumber:
13531-48-1
MolecularFormula:
C9H7NO2
MolecularWeight:
161.1574
MdlNumber:
MFCD00220156
Smiles:
COC(=O)c1cccc(c1)C#N
Complexity:
216
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)CCC#N
Complexity: 122
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)CCC#N
Complexity:
122
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.3