AB42751
126-07-8 | (2S,6'R)-7-chloro-2',4,6-trimethoxy-6'-methyl-3H-spiro[1-benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione
Manufacturer: A2B Chem
The price for this product is unavailable. Please request a quote
CatalogNumber
AB42751
ChemicalName
(2S,6'R)-7-chloro-2',4,6-trimethoxy-6'-methyl-3H-spiro[1-benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione
CasNumber
126-07-8
MolecularFormula
C17H17ClO6
MolecularWeight
352.7663
MdlNumber
MFCD00082343
Smiles
COC1=CC(=O)C[C@@H]([C@]21Oc1c(C2=O)c(OC)cc(c1Cl)OC)C
NscNumber
755822
Complexity
575
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
24
HydrogenBondAcceptorCount
6
RotatableBondCount
3
Xlogp3
2.2
Related Products
Compare Similar Items
Show Difference
CatalogNumber: AB42751
ChemicalName: (2S,6'R)-7-chloro-2',4,6-trimethoxy-6'-methyl-3H-spiro[1-benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione
CasNumber: 126-07-8
MolecularFormula: C17H17ClO6
MolecularWeight: 352.7663
MdlNumber: MFCD00082343
Smiles: COC1=CC(=O)C[C@@H]([C@]21Oc1c(C2=O)c(OC)cc(c1Cl)OC)C
NscNumber: 755822
Complexity: 575
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 6
RotatableBondCount: 3
Xlogp3: 2.2
CatalogNumber:
AB42751
ChemicalName:
(2S,6'R)-7-chloro-2',4,6-trimethoxy-6'-methyl-3H-spiro[1-benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione
CasNumber:
126-07-8
MolecularFormula:
C17H17ClO6
MolecularWeight:
352.7663
MdlNumber:
MFCD00082343
Smiles:
COC1=CC(=O)C[C@@H]([C@]21Oc1c(C2=O)c(OC)cc(c1Cl)OC)C
NscNumber:
755822
Complexity:
575
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
6
RotatableBondCount:
3
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)[C@H](O)C
NscNumber: __
Complexity: 69.3
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: -0.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)[C@H](O)C
NscNumber:
__
Complexity:
69.3
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(cc1)C(=O)O[C@@](C(=O)c1ccc(cc1)C)([C@@H](C(=O)O)O)C(=O)O
NscNumber: __
Complexity: 533
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(cc1)C(=O)O[C@@](C(=O)c1ccc(cc1)C)([C@@H](C(=O)O)O)C(=O)O
NscNumber:
__
Complexity:
533
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C([C@H](O)C)OC(C)(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C([C@H](O)C)OC(C)(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__