AE62993
134541-08-5 | 5-(Methoxymethyl)isoxazole-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AE62993
ChemicalName
5-(Methoxymethyl)isoxazole-4-carboxylic acid
CasNumber
134541-08-5
MolecularFormula
C6H7NO4
MolecularWeight
157.1241
MdlNumber
MFCD13193540
Smiles
COCc1oncc1C(=O)O
Complexity
150
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
-0.4
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CatalogNumber: AE62993
ChemicalName: 5-(Methoxymethyl)isoxazole-4-carboxylic acid
CasNumber: 134541-08-5
MolecularFormula: C6H7NO4
MolecularWeight: 157.1241
MdlNumber: MFCD13193540
Smiles: COCc1oncc1C(=O)O
Complexity: 150
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: -0.4
CatalogNumber:
AE62993
ChemicalName:
5-(Methoxymethyl)isoxazole-4-carboxylic acid
CasNumber:
134541-08-5
MolecularFormula:
C6H7NO4
MolecularWeight:
157.1241
MdlNumber:
MFCD13193540
Smiles:
COCc1oncc1C(=O)O
Complexity:
150
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
-0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1nnn2c1CNCC2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1nnn2c1CNCC2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc2c(n1)nccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc2c(n1)nccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N1CC2(C1)COC2.OC(=O)C(=O)O.OC(=O)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N1CC2(C1)COC2.OC(=O)C(=O)O.OC(=O)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__