AD73247
13626-59-0 | 3-Methoxyisoxazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AD73247
ChemicalName
3-Methoxyisoxazole-5-carboxylic acid
CasNumber
13626-59-0
MolecularFormula
C5H5NO4
MolecularWeight
143.0975
MdlNumber
MFCD07368245
Smiles
COc1noc(c1)C(=O)O
NscNumber
303798
Complexity
138
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.5
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CatalogNumber: AD73247
ChemicalName: 3-Methoxyisoxazole-5-carboxylic acid
CasNumber: 13626-59-0
MolecularFormula: C5H5NO4
MolecularWeight: 143.0975
MdlNumber: MFCD07368245
Smiles: COc1noc(c1)C(=O)O
NscNumber: 303798
Complexity: 138
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.5
CatalogNumber:
AD73247
ChemicalName:
3-Methoxyisoxazole-5-carboxylic acid
CasNumber:
13626-59-0
MolecularFormula:
C5H5NO4
MolecularWeight:
143.0975
MdlNumber:
MFCD07368245
Smiles:
COc1noc(c1)C(=O)O
NscNumber:
303798
Complexity:
138
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: COc1cccc(c1C(=O)O)N.Br
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COc1cccc(c1C(=O)O)N.Br
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Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: NC(=O)c1c(N)cccc1O
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Smiles:
NC(=O)c1c(N)cccc1O
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CN(C2=O)CCc1ccc(cc1)[N+](=O)[O-])c1ccccc1
NscNumber: __
Complexity: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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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:
Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CN(C2=O)CCc1ccc(cc1)[N+](=O)[O-])c1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__