AB43123
542-05-2 | 1,3-Acetonedicarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB43123
ChemicalName
1,3-Acetonedicarboxylic acid
CasNumber
542-05-2
MolecularFormula
C5H6O5
MolecularWeight
146.0981
MdlNumber
MFCD00002711
Smiles
O=C(CC(=O)O)CC(=O)O
Complexity
153
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
-0.7
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CatalogNumber: AB43123
ChemicalName: 1,3-Acetonedicarboxylic acid
CasNumber: 542-05-2
MolecularFormula: C5H6O5
MolecularWeight: 146.0981
MdlNumber: MFCD00002711
Smiles: O=C(CC(=O)O)CC(=O)O
Complexity: 153
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: -0.7
CatalogNumber:
AB43123
ChemicalName:
1,3-Acetonedicarboxylic acid
CasNumber:
542-05-2
MolecularFormula:
C5H6O5
MolecularWeight:
146.0981
MdlNumber:
MFCD00002711
Smiles:
O=C(CC(=O)O)CC(=O)O
Complexity:
153
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
-0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Sc1cccc(c1)S
Complexity: 64.9
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Sc1cccc(c1)S
Complexity:
64.9
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc(C)cc(c1N1CCN([C]1)c1c(C)cc(cc1C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cc(C)cc(c1N1CCN([C]1)c1c(C)cc(cc1C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1
Complexity: 350
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 6.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1
Complexity:
350
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
6.2