AC67041
780-00-7 | 3,5-Diiodo-4-hydroxyphenylpyruvic acid
Manufacturer: A2B Chem
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CatalogNumber
AC67041
ChemicalName
3,5-Diiodo-4-hydroxyphenylpyruvic acid
CasNumber
780-00-7
MolecularFormula
C9H6I2O4
MolecularWeight
431.9505
MdlNumber
MFCD00269708
Smiles
OC(=O)C(=O)Cc1cc(I)c(c(c1)I)O
Complexity
257
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
2.2
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CatalogNumber: AC67041
ChemicalName: 3,5-Diiodo-4-hydroxyphenylpyruvic acid
CasNumber: 780-00-7
MolecularFormula: C9H6I2O4
MolecularWeight: 431.9505
MdlNumber: MFCD00269708
Smiles: OC(=O)C(=O)Cc1cc(I)c(c(c1)I)O
Complexity: 257
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 2.2
CatalogNumber:
AC67041
ChemicalName:
3,5-Diiodo-4-hydroxyphenylpyruvic acid
CasNumber:
780-00-7
MolecularFormula:
C9H6I2O4
MolecularWeight:
431.9505
MdlNumber:
MFCD00269708
Smiles:
OC(=O)C(=O)Cc1cc(I)c(c(c1)I)O
Complexity:
257
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: Oc1ccc(cc1)CCNC(C(=O)c1ccc(cc1)O)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Oc1ccc(cc1)CCNC(C(=O)c1ccc(cc1)O)C
Complexity:
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HydrogenBondAcceptorCount:
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Smiles: Oc1ccc(c(c1)O)[C@@H]1CC(=C[C@H]([C@H]1C(=O)c1ccc(cc1O)O)c1c(O)cc(cc1O)c1cc2c(o1)cc(cc2)O)C
Complexity: __
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Smiles:
Oc1ccc(c(c1)O)[C@@H]1CC(=C[C@H]([C@H]1C(=O)c1ccc(cc1O)O)c1c(O)cc(cc1O)c1cc2c(o1)cc(cc2)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: Clc1ccc(cc1N)S(=O)(=O)C(F)(F)F
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccc(cc1N)S(=O)(=O)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__