AD22136
4857-42-5 | 3-Methylisoxazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AD22136
ChemicalName
3-Methylisoxazole-5-carboxylic acid
CasNumber
4857-42-5
MolecularFormula
C5H5NO3
MolecularWeight
127.0981
MdlNumber
MFCD00464222
Smiles
Cc1cc(on1)C(=O)O
Complexity
125
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.6
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CatalogNumber: AD22136
ChemicalName: 3-Methylisoxazole-5-carboxylic acid
CasNumber: 4857-42-5
MolecularFormula: C5H5NO3
MolecularWeight: 127.0981
MdlNumber: MFCD00464222
Smiles: Cc1cc(on1)C(=O)O
Complexity: 125
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.6
CatalogNumber:
AD22136
ChemicalName:
3-Methylisoxazole-5-carboxylic acid
CasNumber:
4857-42-5
MolecularFormula:
C5H5NO3
MolecularWeight:
127.0981
MdlNumber:
MFCD00464222
Smiles:
Cc1cc(on1)C(=O)O
Complexity:
125
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cn1c(cc(=O)c2c1cccc2)c1ccc2c(c1)OCO2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
Cn1c(cc(=O)c2c1cccc2)c1ccc2c(c1)OCO2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
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MolecularWeight: __
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Smiles: CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)CCC(=O)O)C)CCCC(CCCC(C)C)C.[Ca]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)CCC(=O)O)C)CCCC(CCCC(C)C)C.[Ca]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1ccc2-c3c(Cc2c1)cccc3
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1ccc2-c3c(Cc2c1)cccc3
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__