AD58639
223127-05-7 | 6-Isopropoxynicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AD58639
ChemicalName
6-Isopropoxynicotinic acid
CasNumber
223127-05-7
MolecularFormula
C9H11NO3
MolecularWeight
181.1885
MdlNumber
MFCD09811743
Smiles
CC(Oc1ccc(cn1)C(=O)O)C
Complexity
182
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.5
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CatalogNumber: AD58639
ChemicalName: 6-Isopropoxynicotinic acid
CasNumber: 223127-05-7
MolecularFormula: C9H11NO3
MolecularWeight: 181.1885
MdlNumber: MFCD09811743
Smiles: CC(Oc1ccc(cn1)C(=O)O)C
Complexity: 182
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AD58639
ChemicalName:
6-Isopropoxynicotinic acid
CasNumber:
223127-05-7
MolecularFormula:
C9H11NO3
MolecularWeight:
181.1885
MdlNumber:
MFCD09811743
Smiles:
CC(Oc1ccc(cn1)C(=O)O)C
Complexity:
182
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1cccc(c1)NC(=O)c1ccccc1N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Clc1cccc(c1)NC(=O)c1ccccc1N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=COC1CC(C)CCC1C(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=COC1CC(C)CCC1C(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1cc(C=O)c(c(c1O)C)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1cc(C=O)c(c(c1O)C)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__