AA76413
15112-41-1 | 1,3-benzoxazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA76413
ChemicalName
1,3-benzoxazole-5-carboxylic acid
CasNumber
15112-41-1
MolecularFormula
C8H5NO3
MolecularWeight
163.1302
MdlNumber
MFCD09954950
Smiles
OC(=O)c1ccc2c(c1)nco2
Complexity
195
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.1
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CatalogNumber: AA76413
ChemicalName: 1,3-benzoxazole-5-carboxylic acid
CasNumber: 15112-41-1
MolecularFormula: C8H5NO3
MolecularWeight: 163.1302
MdlNumber: MFCD09954950
Smiles: OC(=O)c1ccc2c(c1)nco2
Complexity: 195
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AA76413
ChemicalName:
1,3-benzoxazole-5-carboxylic acid
CasNumber:
15112-41-1
MolecularFormula:
C8H5NO3
MolecularWeight:
163.1302
MdlNumber:
MFCD09954950
Smiles:
OC(=O)c1ccc2c(c1)nco2
Complexity:
195
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.1
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MolecularFormula: __
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Smiles: ClCOCOCCl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
ClCOCOCCl
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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ChemicalName: __
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Smiles: O=C1CC(=O)N(C(=S)N1)C
Complexity: __
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Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
O=C1CC(=O)N(C(=S)N1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: CCOC(=O)C1CCC=CC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C1CCC=CC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__