AA56570
138-60-3 | 4-Oxo-1,4-dihydropyridine-2,6-dicarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA56570
ChemicalName
4-Oxo-1,4-dihydropyridine-2,6-dicarboxylic acid
CasNumber
138-60-3
MolecularFormula
C7H5NO5
MolecularWeight
183.1183
MdlNumber
MFCD03818117
Smiles
OC(=O)c1[nH]c(cc(=O)c1)C(=O)O
NscNumber
3983
Complexity
320
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
3
RotatableBondCount
2
Xlogp3
-0.4
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CatalogNumber: AA56570
ChemicalName: 4-Oxo-1,4-dihydropyridine-2,6-dicarboxylic acid
CasNumber: 138-60-3
MolecularFormula: C7H5NO5
MolecularWeight: 183.1183
MdlNumber: MFCD03818117
Smiles: OC(=O)c1[nH]c(cc(=O)c1)C(=O)O
NscNumber: 3983
Complexity: 320
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: -0.4
CatalogNumber:
AA56570
ChemicalName:
4-Oxo-1,4-dihydropyridine-2,6-dicarboxylic acid
CasNumber:
138-60-3
MolecularFormula:
C7H5NO5
MolecularWeight:
183.1183
MdlNumber:
MFCD03818117
Smiles:
OC(=O)c1[nH]c(cc(=O)c1)C(=O)O
NscNumber:
3983
Complexity:
320
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
-0.4
CatalogNumber: AA56571
ChemicalName: Shikimic acid
CasNumber: 138-59-0
MolecularFormula: C7H10O5
MolecularWeight: 174.1513
MdlNumber: MFCD00066278
Smiles: O[C@@H]1CC(=C[C@H]([C@H]1O)O)C(=O)O
NscNumber: __
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 4
RotatableBondCount: 1
Xlogp3: -1.7
CatalogNumber:
AA56571
ChemicalName:
Shikimic acid
CasNumber:
138-59-0
MolecularFormula:
C7H10O5
MolecularWeight:
174.1513
MdlNumber:
MFCD00066278
Smiles:
O[C@@H]1CC(=C[C@H]([C@H]1O)O)C(=O)O
NscNumber:
__
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
4
RotatableBondCount:
1
Xlogp3:
-1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[Bi](OC(=O)c1cc(O)c(c(c1)O)O)I
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[Bi](OC(=O)c1cc(O)c(c(c1)O)O)I
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(cc(c1OC)OC)C(=O)NCc1ccc(cc1)OCCN(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(cc(c1OC)OC)C(=O)NCc1ccc(cc1)OCCN(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__