AE23617
107550-30-1 | 5-(Benzyloxy)-4-oxo-1,4-dihydropyridine-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AE23617
ChemicalName
5-(Benzyloxy)-4-oxo-1,4-dihydropyridine-2-carboxylic acid
CasNumber
107550-30-1
MolecularFormula
C13H11NO4
MolecularWeight
245.2307
MdlNumber
MFCD18446980
Smiles
OC(=O)c1[nH]cc(c(=O)c1)OCc1ccccc1
Complexity
405
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
1.6
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CatalogNumber: AE23617
ChemicalName: 5-(Benzyloxy)-4-oxo-1,4-dihydropyridine-2-carboxylic acid
CasNumber: 107550-30-1
MolecularFormula: C13H11NO4
MolecularWeight: 245.2307
MdlNumber: MFCD18446980
Smiles: OC(=O)c1[nH]cc(c(=O)c1)OCc1ccccc1
Complexity: 405
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 1.6
CatalogNumber:
AE23617
ChemicalName:
5-(Benzyloxy)-4-oxo-1,4-dihydropyridine-2-carboxylic acid
CasNumber:
107550-30-1
MolecularFormula:
C13H11NO4
MolecularWeight:
245.2307
MdlNumber:
MFCD18446980
Smiles:
OC(=O)c1[nH]cc(c(=O)c1)OCc1ccccc1
Complexity:
405
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCc1nnc2n1nc(Cl)cc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
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:
OCc1nnc2n1nc(Cl)cc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
__
CatalogNumber: AE23619
ChemicalName: 2-(2-Cyanoethylamino)-2-methylpropanoic acid
CasNumber: 106556-63-2
MolecularFormula: C7H12N2O2
MolecularWeight: 156.1824
MdlNumber: MFCD12756521
Smiles: N#CCCNC(C(=O)O)(C)C
Complexity: 190
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: -2.6
CatalogNumber:
AE23619
ChemicalName:
2-(2-Cyanoethylamino)-2-methylpropanoic acid
CasNumber:
106556-63-2
MolecularFormula:
C7H12N2O2
MolecularWeight:
156.1824
MdlNumber:
MFCD12756521
Smiles:
N#CCCNC(C(=O)O)(C)C
Complexity:
190
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
-2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1cc2c(C)ccc(c2nc1C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1cc2c(C)ccc(c2nc1C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__