AG69018
61260-15-9 | Dimethyl (3-oxo-1,3-dihydroisobenzofuran-1-yl)phosphonate
Manufacturer: A2B Chem
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CatalogNumber
AG69018
ChemicalName
Dimethyl (3-oxo-1,3-dihydroisobenzofuran-1-yl)phosphonate
CasNumber
61260-15-9
MolecularFormula
C10H11O5P
MolecularWeight
242.1651
MdlNumber
MFCD16883476
Smiles
COP(=O)(C1OC(=O)c2c1cccc2)OC
Complexity
321
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
0.4
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CatalogNumber: AG69018
ChemicalName: Dimethyl (3-oxo-1,3-dihydroisobenzofuran-1-yl)phosphonate
CasNumber: 61260-15-9
MolecularFormula: C10H11O5P
MolecularWeight: 242.1651
MdlNumber: MFCD16883476
Smiles: COP(=O)(C1OC(=O)c2c1cccc2)OC
Complexity: 321
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.4
CatalogNumber:
AG69018
ChemicalName:
Dimethyl (3-oxo-1,3-dihydroisobenzofuran-1-yl)phosphonate
CasNumber:
61260-15-9
MolecularFormula:
C10H11O5P
MolecularWeight:
242.1651
MdlNumber:
MFCD16883476
Smiles:
COP(=O)(C1OC(=O)c2c1cccc2)OC
Complexity:
321
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: C[N+]1(C)CCC(=C(c2ccccc2)c2ccccc2)CC1.COS(=O)(=O)[O-]
Complexity: 426
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
C[N+]1(C)CCC(=C(c2ccccc2)c2ccccc2)CC1.COS(=O)(=O)[O-]
Complexity:
426
Covalently-bondedUnitCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
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Smiles: CCC[C@H](C(=O)OC)N.Cl
Complexity: __
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HeavyAtomCount: __
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Smiles:
CCC[C@H](C(=O)OC)N.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
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Smiles: CCOC(=O)C[C@@](c1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccc2c(c1)ccc(c2)C(=O)NC)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C[C@@](c1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccc2c(c1)ccc(c2)C(=O)NC)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__