AB63981
54593-26-9 | 3,5-Dimethyl-4-isoxazolecarbaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB63981
ChemicalName
3,5-Dimethyl-4-isoxazolecarbaldehyde
CasNumber
54593-26-9
MolecularFormula
C6H7NO2
MolecularWeight
125.1253
MdlNumber
MFCD02681977
Smiles
O=Cc1c(C)noc1C
NscNumber
151753
Complexity
116
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
0.6
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CatalogNumber: AB63981
ChemicalName: 3,5-Dimethyl-4-isoxazolecarbaldehyde
CasNumber: 54593-26-9
MolecularFormula: C6H7NO2
MolecularWeight: 125.1253
MdlNumber: MFCD02681977
Smiles: O=Cc1c(C)noc1C
NscNumber: 151753
Complexity: 116
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 0.6
CatalogNumber:
AB63981
ChemicalName:
3,5-Dimethyl-4-isoxazolecarbaldehyde
CasNumber:
54593-26-9
MolecularFormula:
C6H7NO2
MolecularWeight:
125.1253
MdlNumber:
MFCD02681977
Smiles:
O=Cc1c(C)noc1C
NscNumber:
151753
Complexity:
116
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1c(C)cc(cc1C)C(=O)O
NscNumber: __
Complexity: 179
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1c(C)cc(cc1C)C(=O)O
NscNumber:
__
Complexity:
179
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1c(C)cc(cc1C)C#N
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1c(C)cc(cc1C)C#N
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc(C)cc(c1)N
NscNumber: __
Complexity: 80.6
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cc(C)cc(c1)N
NscNumber:
__
Complexity:
80.6
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2