AA39028
13030-09-6 | H-Glu-obzl
Manufacturer: A2B Chem
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CatalogNumber
AA39028
ChemicalName
H-Glu-obzl
CasNumber
13030-09-6
MolecularFormula
C12H15NO4
MolecularWeight
237.2518
MdlNumber
MFCD00037312
Smiles
N[C@H](C(=O)OCc1ccccc1)CCC(=O)O
Complexity
261
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
7
Xlogp3
-1.7
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CatalogNumber: AA39028
ChemicalName: H-Glu-obzl
CasNumber: 13030-09-6
MolecularFormula: C12H15NO4
MolecularWeight: 237.2518
MdlNumber: MFCD00037312
Smiles: N[C@H](C(=O)OCc1ccccc1)CCC(=O)O
Complexity: 261
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 7
Xlogp3: -1.7
CatalogNumber:
AA39028
ChemicalName:
H-Glu-obzl
CasNumber:
13030-09-6
MolecularFormula:
C12H15NO4
MolecularWeight:
237.2518
MdlNumber:
MFCD00037312
Smiles:
N[C@H](C(=O)OCc1ccccc1)CCC(=O)O
Complexity:
261
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
7
Xlogp3:
-1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]b1ob2ob(ob(o1)o2)[O-].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]b1ob2ob(ob(o1)o2)[O-].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=BOB=O
Complexity: 34.2
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=BOB=O
Complexity:
34.2
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: S=[Au+]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
S=[Au+]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__