AB52685
642-91-1 | 2,1-Benzisoxazole-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB52685
ChemicalName
2,1-Benzisoxazole-3-carboxylic acid
CasNumber
642-91-1
MolecularFormula
C8H5NO3
MolecularWeight
163.1302
MdlNumber
MFCD02180526
Smiles
OC(=O)c1onc2c1cccc2
NscNumber
86917
Complexity
195
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.6
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CatalogNumber: AB52685
ChemicalName: 2,1-Benzisoxazole-3-carboxylic acid
CasNumber: 642-91-1
MolecularFormula: C8H5NO3
MolecularWeight: 163.1302
MdlNumber: MFCD02180526
Smiles: OC(=O)c1onc2c1cccc2
NscNumber: 86917
Complexity: 195
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.6
CatalogNumber:
AB52685
ChemicalName:
2,1-Benzisoxazole-3-carboxylic acid
CasNumber:
642-91-1
MolecularFormula:
C8H5NO3
MolecularWeight:
163.1302
MdlNumber:
MFCD02180526
Smiles:
OC(=O)c1onc2c1cccc2
NscNumber:
86917
Complexity:
195
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1nccnn1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1nccnn1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB52687
ChemicalName: 4-Ethynyl-1H-pyrazole
CasNumber: 57121-49-0
MolecularFormula: C5H4N2
MolecularWeight: 92.0987
MdlNumber: MFCD18207413
Smiles: C#Cc1c[nH]nc1
NscNumber: __
Complexity: 99.9
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.3
CatalogNumber:
AB52687
ChemicalName:
4-Ethynyl-1H-pyrazole
CasNumber:
57121-49-0
MolecularFormula:
C5H4N2
MolecularWeight:
92.0987
MdlNumber:
MFCD18207413
Smiles:
C#Cc1c[nH]nc1
NscNumber:
__
Complexity:
99.9
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.3
CatalogNumber: AB52688
ChemicalName: 3-Cyclopentyloxy-4-methoxybenzaldehyde
CasNumber: 67387-76-2
MolecularFormula: C13H16O3
MolecularWeight: 220.2643
MdlNumber: MFCD00673136
Smiles: COc1ccc(cc1OC1CCCC1)C=O
NscNumber: __
Complexity: 223
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 2.6
CatalogNumber:
AB52688
ChemicalName:
3-Cyclopentyloxy-4-methoxybenzaldehyde
CasNumber:
67387-76-2
MolecularFormula:
C13H16O3
MolecularWeight:
220.2643
MdlNumber:
MFCD00673136
Smiles:
COc1ccc(cc1OC1CCCC1)C=O
NscNumber:
__
Complexity:
223
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
2.6