AB46114
3770-50-1 | Ethyl indole-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB46114
ChemicalName
Ethyl indole-2-carboxylate
CasNumber
3770-50-1
MolecularFormula
C11H11NO2
MolecularWeight
189.2105
MdlNumber
MFCD00005609
Smiles
CCOC(=O)c1cc2c([nH]1)cccc2
NscNumber
10076
Complexity
217
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.2
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CatalogNumber: AB46114
ChemicalName: Ethyl indole-2-carboxylate
CasNumber: 3770-50-1
MolecularFormula: C11H11NO2
MolecularWeight: 189.2105
MdlNumber: MFCD00005609
Smiles: CCOC(=O)c1cc2c([nH]1)cccc2
NscNumber: 10076
Complexity: 217
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.2
CatalogNumber:
AB46114
ChemicalName:
Ethyl indole-2-carboxylate
CasNumber:
3770-50-1
MolecularFormula:
C11H11NO2
MolecularWeight:
189.2105
MdlNumber:
MFCD00005609
Smiles:
CCOC(=O)c1cc2c([nH]1)cccc2
NscNumber:
10076
Complexity:
217
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.2
CatalogNumber: AB46115
ChemicalName: Ethyl isobutyrylacetate
CasNumber: 7152-15-0
MolecularFormula: C8H14O3
MolecularWeight: 158.195
MdlNumber: MFCD00001069
Smiles: CCOC(=O)CC(=O)C(C)C
NscNumber: 62029
Complexity: 149
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 5
Xlogp3: 1.3
CatalogNumber:
AB46115
ChemicalName:
Ethyl isobutyrylacetate
CasNumber:
7152-15-0
MolecularFormula:
C8H14O3
MolecularWeight:
158.195
MdlNumber:
MFCD00001069
Smiles:
CCOC(=O)CC(=O)C(C)C
NscNumber:
62029
Complexity:
149
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
5
Xlogp3:
1.3
CatalogNumber: AB46116
ChemicalName: Ethyl isonicotinate
CasNumber: 1570-45-2
MolecularFormula: C8H9NO2
MolecularWeight: 151.1626
MdlNumber: MFCD00006428
Smiles: CCOC(=O)c1ccncc1
NscNumber: 6854
Complexity: 130
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 1.4
CatalogNumber:
AB46116
ChemicalName:
Ethyl isonicotinate
CasNumber:
1570-45-2
MolecularFormula:
C8H9NO2
MolecularWeight:
151.1626
MdlNumber:
MFCD00006428
Smiles:
CCOC(=O)c1ccncc1
NscNumber:
6854
Complexity:
130
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)CC(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)CC(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__