AB63566
57597-62-3 | 3,3-Dimethoxypropanenitrile
Manufacturer: A2B Chem
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CatalogNumber
AB63566
ChemicalName
3,3-Dimethoxypropanenitrile
CasNumber
57597-62-3
MolecularFormula
C5H9NO2
MolecularWeight
115.1305
MdlNumber
MFCD00044797
Smiles
COC(CC#N)OC
Complexity
89.8
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
-0.2
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CatalogNumber: AB63566
ChemicalName: 3,3-Dimethoxypropanenitrile
CasNumber: 57597-62-3
MolecularFormula: C5H9NO2
MolecularWeight: 115.1305
MdlNumber: MFCD00044797
Smiles: COC(CC#N)OC
Complexity: 89.8
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: -0.2
CatalogNumber:
AB63566
ChemicalName:
3,3-Dimethoxypropanenitrile
CasNumber:
57597-62-3
MolecularFormula:
C5H9NO2
MolecularWeight:
115.1305
MdlNumber:
MFCD00044797
Smiles:
COC(CC#N)OC
Complexity:
89.8
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
-0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCC(C(C)(C)C)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCC(C(C)(C)C)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C1OC1)(C)C
Complexity: 70.7
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C1OC1)(C)C
Complexity:
70.7
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=CC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=CC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__