AH86190
880-68-2 | 1,4-Benzenebisphosphonic acid
Manufacturer: A2B Chem
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CatalogNumber
AH86190
ChemicalName
1,4-Benzenebisphosphonic acid
CasNumber
880-68-2
MolecularFormula
C6H8O6P2
MolecularWeight
238.0716
MdlNumber
MFCD00475582
Smiles
OP(=O)(c1ccc(cc1)P(=O)(O)O)O
Complexity
253
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
4
RotatableBondCount
2
Xlogp3
-2
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CatalogNumber: AH86190
ChemicalName: 1,4-Benzenebisphosphonic acid
CasNumber: 880-68-2
MolecularFormula: C6H8O6P2
MolecularWeight: 238.0716
MdlNumber: MFCD00475582
Smiles: OP(=O)(c1ccc(cc1)P(=O)(O)O)O
Complexity: 253
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 4
RotatableBondCount: 2
Xlogp3: -2
CatalogNumber:
AH86190
ChemicalName:
1,4-Benzenebisphosphonic acid
CasNumber:
880-68-2
MolecularFormula:
C6H8O6P2
MolecularWeight:
238.0716
MdlNumber:
MFCD00475582
Smiles:
OP(=O)(c1ccc(cc1)P(=O)(O)O)O
Complexity:
253
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
4
RotatableBondCount:
2
Xlogp3:
-2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCC(CC(=O)O)O
Complexity: 112
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCC(CC(=O)O)O
Complexity:
112
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)COC1CCN(C1)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)COC1CCN(C1)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)CC1CNC(CO1)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)CC1CNC(CO1)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__