AI36269
145441-17-4 | 3-Isoxazolecarboxylic acid, 5-acetyl-
Manufacturer: A2B Chem
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CatalogNumber
AI36269
ChemicalName
3-Isoxazolecarboxylic acid, 5-acetyl-
CasNumber
145441-17-4
MolecularFormula
C6H5NO4
MolecularWeight
155.1082
MdlNumber
MFCD11035732
Smiles
OC(=O)c1noc(c1)C(=O)C
Complexity
191
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.2
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CatalogNumber: AI36269
ChemicalName: 3-Isoxazolecarboxylic acid, 5-acetyl-
CasNumber: 145441-17-4
MolecularFormula: C6H5NO4
MolecularWeight: 155.1082
MdlNumber: MFCD11035732
Smiles: OC(=O)c1noc(c1)C(=O)C
Complexity: 191
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.2
CatalogNumber:
AI36269
ChemicalName:
3-Isoxazolecarboxylic acid, 5-acetyl-
CasNumber:
145441-17-4
MolecularFormula:
C6H5NO4
MolecularWeight:
155.1082
MdlNumber:
MFCD11035732
Smiles:
OC(=O)c1noc(c1)C(=O)C
Complexity:
191
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)CS(=O)(=O)c1ccccc1Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)CS(=O)(=O)c1ccccc1Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI36271
ChemicalName: 1-Methyl-2-oxopyridine-3-boronic acid
CasNumber: 1454558-46-3
MolecularFormula: C6H8BNO3
MolecularWeight: 152.94362
MdlNumber: MFCD23699496
Smiles: OB(c1cccn(c1=O)C)O
Complexity: 234
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AI36271
ChemicalName:
1-Methyl-2-oxopyridine-3-boronic acid
CasNumber:
1454558-46-3
MolecularFormula:
C6H8BNO3
MolecularWeight:
152.94362
MdlNumber:
MFCD23699496
Smiles:
OB(c1cccn(c1=O)C)O
Complexity:
234
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: AI36272
ChemicalName: Benzyl 5-azaspiro[2.5]octane-5-carboxylate
CasNumber: 1454650-21-5
MolecularFormula: C15H19NO2
MolecularWeight: 245.3169
MdlNumber: MFCD28992159
Smiles: O=C(N1CCCC2(C1)CC2)OCc1ccccc1
Complexity: 306
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 2.7
CatalogNumber:
AI36272
ChemicalName:
Benzyl 5-azaspiro[2.5]octane-5-carboxylate
CasNumber:
1454650-21-5
MolecularFormula:
C15H19NO2
MolecularWeight:
245.3169
MdlNumber:
MFCD28992159
Smiles:
O=C(N1CCCC2(C1)CC2)OCc1ccccc1
Complexity:
306
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
2.7