AB25102
2459-09-8 | Methyl isonicotinate
Manufacturer: A2B Chem
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CatalogNumber
AB25102
ChemicalName
Methyl isonicotinate
CasNumber
2459-09-8
MolecularFormula
C7H7NO2
MolecularWeight
137.13598
MdlNumber
MFCD00006427
Smiles
COC(=O)c1ccncc1
NscNumber
18257
Complexity
119
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
0.9
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CatalogNumber: AB25102
ChemicalName: Methyl isonicotinate
CasNumber: 2459-09-8
MolecularFormula: C7H7NO2
MolecularWeight: 137.13598
MdlNumber: MFCD00006427
Smiles: COC(=O)c1ccncc1
NscNumber: 18257
Complexity: 119
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 0.9
CatalogNumber:
AB25102
ChemicalName:
Methyl isonicotinate
CasNumber:
2459-09-8
MolecularFormula:
C7H7NO2
MolecularWeight:
137.13598
MdlNumber:
MFCD00006427
Smiles:
COC(=O)c1ccncc1
NscNumber:
18257
Complexity:
119
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
0.9
CatalogNumber: AB25103
ChemicalName: Methyl picolinate
CasNumber: 2459-07-6
MolecularFormula: C7H7NO2
MolecularWeight: 137.13598000000002
MdlNumber: MFCD00038038
Smiles: COC(=O)c1ccccn1
NscNumber: 1459
Complexity: 125
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 0.4
CatalogNumber:
AB25103
ChemicalName:
Methyl picolinate
CasNumber:
2459-07-6
MolecularFormula:
C7H7NO2
MolecularWeight:
137.13598000000002
MdlNumber:
MFCD00038038
Smiles:
COC(=O)c1ccccn1
NscNumber:
1459
Complexity:
125
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)/C=C/C(=O)O
NscNumber: __
Complexity: 159
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)/C=C/C(=O)O
NscNumber:
__
Complexity:
159
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CNC(=O)C=C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CNC(=O)C=C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__