AI50088
41337-81-9 | Ethyl 6-(hydroxymethyl)pyridine-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI50088
ChemicalName
Ethyl 6-(hydroxymethyl)pyridine-2-carboxylate
CasNumber
41337-81-9
MolecularFormula
C9H11NO3
MolecularWeight
181.1885
MdlNumber
MFCD09750009
Smiles
CCOC(=O)c1cccc(n1)CO
Complexity
172
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
0.6
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CatalogNumber: AI50088
ChemicalName: Ethyl 6-(hydroxymethyl)pyridine-2-carboxylate
CasNumber: 41337-81-9
MolecularFormula: C9H11NO3
MolecularWeight: 181.1885
MdlNumber: MFCD09750009
Smiles: CCOC(=O)c1cccc(n1)CO
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 0.6
CatalogNumber:
AI50088
ChemicalName:
Ethyl 6-(hydroxymethyl)pyridine-2-carboxylate
CasNumber:
41337-81-9
MolecularFormula:
C9H11NO3
MolecularWeight:
181.1885
MdlNumber:
MFCD09750009
Smiles:
CCOC(=O)c1cccc(n1)CO
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
0.6
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Smiles: OCCc1c[nH]c2c1c(Cl)ccc2
Complexity: __
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RotatableBondCount: __
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Smiles:
OCCc1c[nH]c2c1c(Cl)ccc2
Complexity:
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RotatableBondCount:
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Smiles: OC(=O)c1nn(c2c1cccc2)Cc1ccccc1
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Smiles:
OC(=O)c1nn(c2c1cccc2)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CN1CC/C(=C\2/c3ccccc3C=Cc3c2cccc3)/CC1.CN1CC/C(=C/2\c3ccccc3C=Cc3c2cccc3)/CC1.Cl.Cl.O.O.O
Complexity: __
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HeavyAtomCount: __
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HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
CN1CC/C(=C\2/c3ccccc3C=Cc3c2cccc3)/CC1.CN1CC/C(=C/2\c3ccccc3C=Cc3c2cccc3)/CC1.Cl.Cl.O.O.O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__