AA71730
14442-12-7 | 3-Phenylisoxazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA71730
ChemicalName
3-Phenylisoxazole-5-carboxylic acid
CasNumber
14442-12-7
MolecularFormula
C10H7NO3
MolecularWeight
189.16747999999998
MdlNumber
MFCD01936010
Smiles
OC(=O)c1onc(c1)c1ccccc1
Complexity
213
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.9
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CatalogNumber: AA71730
ChemicalName: 3-Phenylisoxazole-5-carboxylic acid
CasNumber: 14442-12-7
MolecularFormula: C10H7NO3
MolecularWeight: 189.16747999999998
MdlNumber: MFCD01936010
Smiles: OC(=O)c1onc(c1)c1ccccc1
Complexity: 213
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.9
CatalogNumber:
AA71730
ChemicalName:
3-Phenylisoxazole-5-carboxylic acid
CasNumber:
14442-12-7
MolecularFormula:
C10H7NO3
MolecularWeight:
189.16747999999998
MdlNumber:
MFCD01936010
Smiles:
OC(=O)c1onc(c1)c1ccccc1
Complexity:
213
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC1COC(=O)N1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC1COC(=O)N1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA71732
ChemicalName: 5-Phenylisoxazole-3-carboxylic acid
CasNumber: 14441-90-8
MolecularFormula: C10H7NO3
MolecularWeight: 189.1675
MdlNumber: MFCD00464221
Smiles: OC(=O)c1noc(c1)c1ccccc1
Complexity: 213
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AA71732
ChemicalName:
5-Phenylisoxazole-3-carboxylic acid
CasNumber:
14441-90-8
MolecularFormula:
C10H7NO3
MolecularWeight:
189.1675
MdlNumber:
MFCD00464221
Smiles:
OC(=O)c1noc(c1)c1ccccc1
Complexity:
213
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=S1(=O)NCCN1Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=S1(=O)NCCN1Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__