AG68488
59899-89-7 | Methyl 2-(1,2-benzisoxazol-3-yl)acetate
Manufacturer: A2B Chem
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CatalogNumber
AG68488
ChemicalName
Methyl 2-(1,2-benzisoxazol-3-yl)acetate
CasNumber
59899-89-7
MolecularFormula
C10H9NO3
MolecularWeight
191.1834
MdlNumber
MFCD04117784
Smiles
COC(=O)Cc1noc2c1cccc2
Complexity
219
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
1.5
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CatalogNumber: AG68488
ChemicalName: Methyl 2-(1,2-benzisoxazol-3-yl)acetate
CasNumber: 59899-89-7
MolecularFormula: C10H9NO3
MolecularWeight: 191.1834
MdlNumber: MFCD04117784
Smiles: COC(=O)Cc1noc2c1cccc2
Complexity: 219
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AG68488
ChemicalName:
Methyl 2-(1,2-benzisoxazol-3-yl)acetate
CasNumber:
59899-89-7
MolecularFormula:
C10H9NO3
MolecularWeight:
191.1834
MdlNumber:
MFCD04117784
Smiles:
COC(=O)Cc1noc2c1cccc2
Complexity:
219
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
1.5
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Smiles: C1=CC2=C(C=C1[N+](=O)[O-])C(=NO2)CCO
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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Smiles:
C1=CC2=C(C=C1[N+](=O)[O-])C(=NO2)CCO
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CC1(CC(CC(N1)(C)C)OC(=O)CC(C(CC(=O)OC2CC(NC(C2)(C)C)(C)C)C(=O)OC3CC(NC(C3)(C)C)(C)C)C(=O)OC4CC(NC(C4)(C)C)(C)C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
CC1(CC(CC(N1)(C)C)OC(=O)CC(C(CC(=O)OC2CC(NC(C2)(C)C)(C)C)C(=O)OC3CC(NC(C3)(C)C)(C)C)C(=O)OC4CC(NC(C4)(C)C)(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: OCC(COP(=O)(OCC[N+](C)(C)C)O)O.[OH-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
OCC(COP(=O)(OCC[N+](C)(C)C)O)O.[OH-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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