AI62596
936801-41-1 | 5-(Ethoxycarbonyl)-2-methylnicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AI62596
ChemicalName
5-(Ethoxycarbonyl)-2-methylnicotinic acid
CasNumber
936801-41-1
MolecularFormula
C10H11NO4
MolecularWeight
209.19864000000004
MdlNumber
MFCD18256583
Smiles
CCOC(=O)c1cnc(c(c1)C(=O)O)C
Complexity
254
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1
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CatalogNumber: AI62596
ChemicalName: 5-(Ethoxycarbonyl)-2-methylnicotinic acid
CasNumber: 936801-41-1
MolecularFormula: C10H11NO4
MolecularWeight: 209.19864000000004
MdlNumber: MFCD18256583
Smiles: CCOC(=O)c1cnc(c(c1)C(=O)O)C
Complexity: 254
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1
CatalogNumber:
AI62596
ChemicalName:
5-(Ethoxycarbonyl)-2-methylnicotinic acid
CasNumber:
936801-41-1
MolecularFormula:
C10H11NO4
MolecularWeight:
209.19864000000004
MdlNumber:
MFCD18256583
Smiles:
CCOC(=O)c1cnc(c(c1)C(=O)O)C
Complexity:
254
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1
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MolecularFormula: __
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Smiles: Cc1onc(c1COc1ccc(cc1)S(=O)(=O)Cl)C
Complexity: __
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Smiles:
Cc1onc(c1COc1ccc(cc1)S(=O)(=O)Cl)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: O=C(OC(C)(C)C)Nc1cccc(c1Br)C
Complexity: __
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Smiles:
O=C(OC(C)(C)C)Nc1cccc(c1Br)C
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Cc1nc(cc(n1)N1CCNCC1)Nc1ncc(s1)/C=C/c1ccc(c2c1cc[nH]2)Cl
Complexity: __
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HydrogenBondDonorCount: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Cc1nc(cc(n1)N1CCNCC1)Nc1ncc(s1)/C=C/c1ccc(c2c1cc[nH]2)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__