AA26311
123367-26-0 | (E)-3-(Dimethylamino)-1-(pyridin-3-yl)prop-2-en-1-one
Manufacturer: A2B Chem
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CatalogNumber
AA26311
ChemicalName
(E)-3-(Dimethylamino)-1-(pyridin-3-yl)prop-2-en-1-one
CasNumber
123367-26-0
MolecularFormula
C10H12N2O
MolecularWeight
176.2151
MdlNumber
MFCD00115180
Smiles
CN(/C=C/C(=O)c1cccnc1)C
Complexity
199
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
0.8
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CatalogNumber: AA26311
ChemicalName: (E)-3-(Dimethylamino)-1-(pyridin-3-yl)prop-2-en-1-one
CasNumber: 123367-26-0
MolecularFormula: C10H12N2O
MolecularWeight: 176.2151
MdlNumber: MFCD00115180
Smiles: CN(/C=C/C(=O)c1cccnc1)C
Complexity: 199
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 0.8
CatalogNumber:
AA26311
ChemicalName:
(E)-3-(Dimethylamino)-1-(pyridin-3-yl)prop-2-en-1-one
CasNumber:
123367-26-0
MolecularFormula:
C10H12N2O
MolecularWeight:
176.2151
MdlNumber:
MFCD00115180
Smiles:
CN(/C=C/C(=O)c1cccnc1)C
Complexity:
199
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN(/C=C/C(=O)c1ccccn1)C
Complexity: 199
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN(/C=C/C(=O)c1ccccn1)C
Complexity:
199
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN(/C=C/c1c[n+]([O-])ccc1[N+](=O)[O-])C
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN(/C=C/c1c[n+]([O-])ccc1[N+](=O)[O-])C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCn1nnnc1I
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCn1nnnc1I
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__