AB65939
5438-51-7 | 4-(Cyanomethyl)-2-methoxyphenyl acetate
Manufacturer: A2B Chem
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CatalogNumber
AB65939
ChemicalName
4-(Cyanomethyl)-2-methoxyphenyl acetate
CasNumber
5438-51-7
MolecularFormula
C11H11NO3
MolecularWeight
205.2099
MdlNumber
MFCD22421594
Smiles
N#CCc1ccc(c(c1)OC)OC(=O)C
NscNumber
16695
Complexity
268
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
0.9
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CatalogNumber: AB65939
ChemicalName: 4-(Cyanomethyl)-2-methoxyphenyl acetate
CasNumber: 5438-51-7
MolecularFormula: C11H11NO3
MolecularWeight: 205.2099
MdlNumber: MFCD22421594
Smiles: N#CCc1ccc(c(c1)OC)OC(=O)C
NscNumber: 16695
Complexity: 268
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 0.9
CatalogNumber:
AB65939
ChemicalName:
4-(Cyanomethyl)-2-methoxyphenyl acetate
CasNumber:
5438-51-7
MolecularFormula:
C11H11NO3
MolecularWeight:
205.2099
MdlNumber:
MFCD22421594
Smiles:
N#CCc1ccc(c(c1)OC)OC(=O)C
NscNumber:
16695
Complexity:
268
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
0.9
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Smiles: COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(c1nc(OC2CCCCC2)c2c(n1)cccc2)C
NscNumber: __
Complexity: __
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HydrogenBondAcceptorCount: __
RotatableBondCount: __
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Smiles:
COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(c1nc(OC2CCCCC2)c2c(n1)cccc2)C
NscNumber:
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Complexity:
__
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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MolecularWeight: __
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Smiles: OB(c1ccc(cc1)C(=O)C1CCCC1)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
OB(c1ccc(cc1)C(=O)C1CCCC1)O
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OB(c1ccc(cc1)C(=O)NC1CC1)O
NscNumber: __
Complexity: 235
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OB(c1ccc(cc1)C(=O)NC1CC1)O
NscNumber:
__
Complexity:
235
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__