AA13125
114-76-1 | Sodium phenylpyruvate monohydrate
Manufacturer: A2B Chem
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CatalogNumber
AA13125
ChemicalName
Sodium phenylpyruvate monohydrate
CasNumber
114-76-1
MolecularFormula
C9H7NaO3
MolecularWeight
186.13985
MdlNumber
MFCD00149109
Smiles
O=C(C(=O)[O-])Cc1ccccc1.[Na+]
Complexity
185
Covalently-bondedUnitCount
2
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
3
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CatalogNumber: AA13125
ChemicalName: Sodium phenylpyruvate monohydrate
CasNumber: 114-76-1
MolecularFormula: C9H7NaO3
MolecularWeight: 186.13985
MdlNumber: MFCD00149109
Smiles: O=C(C(=O)[O-])Cc1ccccc1.[Na+]
Complexity: 185
Covalently-bondedUnitCount: 2
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
CatalogNumber:
AA13125
ChemicalName:
Sodium phenylpyruvate monohydrate
CasNumber:
114-76-1
MolecularFormula:
C9H7NaO3
MolecularWeight:
186.13985
MdlNumber:
MFCD00149109
Smiles:
O=C(C(=O)[O-])Cc1ccccc1.[Na+]
Complexity:
185
Covalently-bondedUnitCount:
2
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]C(=O)Cc1ccccc1.[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]C(=O)Cc1ccccc1.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
CatalogNumber: AA13127
ChemicalName: Sodium 4-hydroxybenzoate
CasNumber: 114-63-6
MolecularFormula: C7H5NaO3
MolecularWeight: 160.1026
MdlNumber: MFCD00016530
Smiles: [O-]C(=O)c1ccc(cc1)O.[Na+]
Complexity: 130
Covalently-bondedUnitCount: 2
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
CatalogNumber:
AA13127
ChemicalName:
Sodium 4-hydroxybenzoate
CasNumber:
114-63-6
MolecularFormula:
C7H5NaO3
MolecularWeight:
160.1026
MdlNumber:
MFCD00016530
Smiles:
[O-]C(=O)c1ccc(cc1)O.[Na+]
Complexity:
130
Covalently-bondedUnitCount:
2
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCc1ccc(cc1)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCc1ccc(cc1)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__