AI43997
19545-26-7 | KY 12420
Manufacturer: A2B Chem
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CatalogNumber
AI43997
ChemicalName
KY 12420
CasNumber
19545-26-7
MolecularFormula
C23H24O8
MolecularWeight
428.43185999999986
MdlNumber
MFCD00133927
Smiles
COC[C@H]1OC(=O)c2c3[C@@]1(C)C1=C(C(=O)c3oc2)[C@H]2[C@@](C[C@H]1OC(=O)C)(C)C(=O)CC2
Complexity
921
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
5
HeavyAtomCount
31
HydrogenBondAcceptorCount
8
RotatableBondCount
4
Xlogp3
1.2
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CatalogNumber: AI43997
ChemicalName: KY 12420
CasNumber: 19545-26-7
MolecularFormula: C23H24O8
MolecularWeight: 428.43185999999986
MdlNumber: MFCD00133927
Smiles: COC[C@H]1OC(=O)c2c3[C@@]1(C)C1=C(C(=O)c3oc2)[C@H]2[C@@](C[C@H]1OC(=O)C)(C)C(=O)CC2
Complexity: 921
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 5
HeavyAtomCount: 31
HydrogenBondAcceptorCount: 8
RotatableBondCount: 4
Xlogp3: 1.2
CatalogNumber:
AI43997
ChemicalName:
KY 12420
CasNumber:
19545-26-7
MolecularFormula:
C23H24O8
MolecularWeight:
428.43185999999986
MdlNumber:
MFCD00133927
Smiles:
COC[C@H]1OC(=O)c2c3[C@@]1(C)C1=C(C(=O)c3oc2)[C@H]2[C@@](C[C@H]1OC(=O)C)(C)C(=O)CC2
Complexity:
921
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
5
HeavyAtomCount:
31
HydrogenBondAcceptorCount:
8
RotatableBondCount:
4
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [2H]c1c([2H])c([2H])c(c(c1[2H])[2H])C(=O)C([2H])([2H])[2H]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[2H]c1c([2H])c([2H])c(c(c1[2H])[2H])C(=O)C([2H])([2H])[2H]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [2H]c1c([2H])c([2H])c(c(c1[2H])[2H])C(C([2H])([2H])[2H])(O)[2H]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[2H]c1c([2H])c([2H])c(c(c1[2H])[2H])C(C([2H])([2H])[2H])(O)[2H]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI44000
ChemicalName: 5-Nitroisophthalic acid monomethyl ester
CasNumber: 1955-46-0
MolecularFormula: C9H7NO6
MolecularWeight: 225.15497999999997
MdlNumber: MFCD00009793
Smiles: COC(=O)c1cc(cc(c1)N(=O)=O)C(=O)O
Complexity: 310
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AI44000
ChemicalName:
5-Nitroisophthalic acid monomethyl ester
CasNumber:
1955-46-0
MolecularFormula:
C9H7NO6
MolecularWeight:
225.15497999999997
MdlNumber:
MFCD00009793
Smiles:
COC(=O)c1cc(cc(c1)N(=O)=O)C(=O)O
Complexity:
310
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
RotatableBondCount:
3
Xlogp3:
1.5