AB62446
328-50-7 | 2-Ketoglutaric acid
Manufacturer: A2B Chem
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CatalogNumber
AB62446
ChemicalName
2-Ketoglutaric acid
CasNumber
328-50-7
MolecularFormula
C5H6O5
MolecularWeight
146.0981
MdlNumber
MFCD00270557
Smiles
OC(=O)CCC(=O)C(=O)O
NscNumber
17391
Complexity
171
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
-0.9
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CatalogNumber: AB62446
ChemicalName: 2-Ketoglutaric acid
CasNumber: 328-50-7
MolecularFormula: C5H6O5
MolecularWeight: 146.0981
MdlNumber: MFCD00270557
Smiles: OC(=O)CCC(=O)C(=O)O
NscNumber: 17391
Complexity: 171
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: -0.9
CatalogNumber:
AB62446
ChemicalName:
2-Ketoglutaric acid
CasNumber:
328-50-7
MolecularFormula:
C5H6O5
MolecularWeight:
146.0981
MdlNumber:
MFCD00270557
Smiles:
OC(=O)CCC(=O)C(=O)O
NscNumber:
17391
Complexity:
171
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
-0.9
CatalogNumber: AB62447
ChemicalName: 2-Mercapto-1,3,4-thiadiazole
CasNumber: 18686-82-3
MolecularFormula: C2H2N2S2
MolecularWeight: 118.18068
MdlNumber: MFCD00040404
Smiles: S=c1scn[nH]1
NscNumber: 184817
Complexity: 97.7
Covalently-bondedUnitCount: 1
HeavyAtomCount: 6
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 0.9
CatalogNumber:
AB62447
ChemicalName:
2-Mercapto-1,3,4-thiadiazole
CasNumber:
18686-82-3
MolecularFormula:
C2H2N2S2
MolecularWeight:
118.18068
MdlNumber:
MFCD00040404
Smiles:
S=c1scn[nH]1
NscNumber:
184817
Complexity:
97.7
Covalently-bondedUnitCount:
1
HeavyAtomCount:
6
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc(C)[nH]c(=S)n1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cc(C)[nH]c(=S)n1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc(C)nc(n1)[S-].[Na+]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cc(C)nc(n1)[S-].[Na+]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__