AB45935
605-38-9 | Dimethyl pyridine-2,3-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB45935
ChemicalName
Dimethyl pyridine-2,3-dicarboxylate
CasNumber
605-38-9
MolecularFormula
C9H9NO4
MolecularWeight
195.1721
MdlNumber
MFCD00186549
Smiles
COC(=O)c1ncccc1C(=O)OC
NscNumber
17026
Complexity
229
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
RotatableBondCount
4
Xlogp3
0.9
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CatalogNumber: AB45935
ChemicalName: Dimethyl pyridine-2,3-dicarboxylate
CasNumber: 605-38-9
MolecularFormula: C9H9NO4
MolecularWeight: 195.1721
MdlNumber: MFCD00186549
Smiles: COC(=O)c1ncccc1C(=O)OC
NscNumber: 17026
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
Xlogp3: 0.9
CatalogNumber:
AB45935
ChemicalName:
Dimethyl pyridine-2,3-dicarboxylate
CasNumber:
605-38-9
MolecularFormula:
C9H9NO4
MolecularWeight:
195.1721
MdlNumber:
MFCD00186549
Smiles:
COC(=O)c1ncccc1C(=O)OC
NscNumber:
17026
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)CCC(=O)OC
NscNumber: __
Complexity: 114
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)CCC(=O)OC
NscNumber:
__
Complexity:
114
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [2H]C(S(=O)C([2H])([2H])[2H])([2H])[2H]
NscNumber: __
Complexity: 29
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: -0.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[2H]C(S(=O)C([2H])([2H])[2H])([2H])[2H]
NscNumber:
__
Complexity:
29
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)[C@@H]1CC[C@H](CC1)C(=O)OC
NscNumber: __
Complexity: 192
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)[C@@H]1CC[C@H](CC1)C(=O)OC
NscNumber:
__
Complexity:
192
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.1