AB49780
51839-15-7 | Dimethyl 5-iodoisophthalate
Manufacturer: A2B Chem
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CatalogNumber
AB49780
ChemicalName
Dimethyl 5-iodoisophthalate
CasNumber
51839-15-7
MolecularFormula
C10H9IO4
MolecularWeight
320.0805
MdlNumber
MFCD00079753
Smiles
COC(=O)c1cc(I)cc(c1)C(=O)OC
Complexity
230
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
2.3
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CatalogNumber: AB49780
ChemicalName: Dimethyl 5-iodoisophthalate
CasNumber: 51839-15-7
MolecularFormula: C10H9IO4
MolecularWeight: 320.0805
MdlNumber: MFCD00079753
Smiles: COC(=O)c1cc(I)cc(c1)C(=O)OC
Complexity: 230
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 2.3
CatalogNumber:
AB49780
ChemicalName:
Dimethyl 5-iodoisophthalate
CasNumber:
51839-15-7
MolecularFormula:
C10H9IO4
MolecularWeight:
320.0805
MdlNumber:
MFCD00079753
Smiles:
COC(=O)c1cc(I)cc(c1)C(=O)OC
Complexity:
230
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cc(c(s1)C(C(=O)O)N)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cc(c(s1)C(C(=O)O)N)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)CC[C@@H]1NC(=O)CNC1=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)CC[C@@H]1NC(=O)CNC1=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB49783
ChemicalName: Diosgenin
CasNumber: 512-04-9
MolecularFormula: C27H42O3
MolecularWeight: 414.6206
MdlNumber: MFCD00016887
Smiles: C[C@@H]1CC[C@@]2(OC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC=C3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C
Complexity: 746
Covalently-bondedUnitCount: 1
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 3
RotatableBondCount: __
Xlogp3: 5.7
CatalogNumber:
AB49783
ChemicalName:
Diosgenin
CasNumber:
512-04-9
MolecularFormula:
C27H42O3
MolecularWeight:
414.6206
MdlNumber:
MFCD00016887
Smiles:
C[C@@H]1CC[C@@]2(OC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC=C3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C
Complexity:
746
Covalently-bondedUnitCount:
1
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
3
RotatableBondCount:
__
Xlogp3:
5.7