AB51217
30062-34-1 | Methyl 6-oxo-1,6-dihydropyridine-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB51217
ChemicalName
Methyl 6-oxo-1,6-dihydropyridine-2-carboxylate
CasNumber
30062-34-1
MolecularFormula
C7H7NO3
MolecularWeight
153.1354
MdlNumber
MFCD17015470
Smiles
COC(=O)c1cccc(=O)[nH]1
Complexity
252
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.3
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CatalogNumber: AB51217
ChemicalName: Methyl 6-oxo-1,6-dihydropyridine-2-carboxylate
CasNumber: 30062-34-1
MolecularFormula: C7H7NO3
MolecularWeight: 153.1354
MdlNumber: MFCD17015470
Smiles: COC(=O)c1cccc(=O)[nH]1
Complexity: 252
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.3
CatalogNumber:
AB51217
ChemicalName:
Methyl 6-oxo-1,6-dihydropyridine-2-carboxylate
CasNumber:
30062-34-1
MolecularFormula:
C7H7NO3
MolecularWeight:
153.1354
MdlNumber:
MFCD17015470
Smiles:
COC(=O)c1cccc(=O)[nH]1
Complexity:
252
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.3
CatalogNumber: AB51218
ChemicalName: 3,4-Dihydro-2H-1,5-benzodioxepin-7-ylboronic acid
CasNumber: 279261-89-1
MolecularFormula: C9H11BO4
MolecularWeight: 193.9922
MdlNumber: MFCD02681910
Smiles: OB(c1ccc2c(c1)OCCCO2)O
Complexity: 188
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AB51218
ChemicalName:
3,4-Dihydro-2H-1,5-benzodioxepin-7-ylboronic acid
CasNumber:
279261-89-1
MolecularFormula:
C9H11BO4
MolecularWeight:
193.9922
MdlNumber:
MFCD02681910
Smiles:
OB(c1ccc2c(c1)OCCCO2)O
Complexity:
188
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1CC(=O)NC1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CC1CC(=O)NC1
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc2c(c1)c(CC(=O)O)c([nH]2)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc2c(c1)c(CC(=O)O)c([nH]2)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__