AI56978
84586-19-6 | (2E)-4,4-Dimethoxy-3-methylbut-2-enenitrile
Manufacturer: A2B Chem
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CatalogNumber
AI56978
ChemicalName
(2E)-4,4-Dimethoxy-3-methylbut-2-enenitrile
CasNumber
84586-19-6
MolecularFormula
C7H11NO2
MolecularWeight
141.1677
MdlNumber
MFCD28515387
Smiles
COC(/C(=C/C#N)/C)OC
Complexity
162
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
0.7
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CatalogNumber: AI56978
ChemicalName: (2E)-4,4-Dimethoxy-3-methylbut-2-enenitrile
CasNumber: 84586-19-6
MolecularFormula: C7H11NO2
MolecularWeight: 141.1677
MdlNumber: MFCD28515387
Smiles: COC(/C(=C/C#N)/C)OC
Complexity: 162
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 0.7
CatalogNumber:
AI56978
ChemicalName:
(2E)-4,4-Dimethoxy-3-methylbut-2-enenitrile
CasNumber:
84586-19-6
MolecularFormula:
C7H11NO2
MolecularWeight:
141.1677
MdlNumber:
MFCD28515387
Smiles:
COC(/C(=C/C#N)/C)OC
Complexity:
162
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
0.7
CatalogNumber: __
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MolecularFormula: __
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Smiles: Ic1ccnc(n1)C
Complexity: __
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DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
Ic1ccnc(n1)C
Complexity:
__
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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__
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Smiles: N#CC1=CNCCC1C(F)(F)F
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HeavyAtomCount: __
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Xlogp3: __
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__
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
N#CC1=CNCCC1C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=Cc1sccc1B1OC(C(O1)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1sccc1B1OC(C(O1)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__