AB52741
7442-52-6 | Methyl 1-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate
Manufacturer: A2B Chem
The price for this product is unavailable. Please request a quote
CatalogNumber
AB52741
ChemicalName
Methyl 1-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CasNumber
7442-52-6
MolecularFormula
C12H12O3
MolecularWeight
204.2219
MdlNumber
MFCD00667560
Smiles
COC(=O)C1CCc2c(C1=O)cccc2
NscNumber
401457
Complexity
272
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
2.1
Compare Similar Items
Show Difference
CatalogNumber: AB52741
ChemicalName: Methyl 1-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CasNumber: 7442-52-6
MolecularFormula: C12H12O3
MolecularWeight: 204.2219
MdlNumber: MFCD00667560
Smiles: COC(=O)C1CCc2c(C1=O)cccc2
NscNumber: 401457
Complexity: 272
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.1
CatalogNumber:
AB52741
ChemicalName:
Methyl 1-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CasNumber:
7442-52-6
MolecularFormula:
C12H12O3
MolecularWeight:
204.2219
MdlNumber:
MFCD00667560
Smiles:
COC(=O)C1CCc2c(C1=O)cccc2
NscNumber:
401457
Complexity:
272
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@@H]1CNC[C@H]1c1cccc2c1cccc2.Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@@H]1CNC[C@H]1c1cccc2c1cccc2.Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(c(c1)S(=O)(=O)[O-])N/N=C/1C(=O)C(=Cc2c1cccc2)C(=O)[O-].[Na+].[Na+]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(c(c1)S(=O)(=O)[O-])N/N=C/1C(=O)C(=Cc2c1cccc2)C(=O)[O-].[Na+].[Na+]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClCc1ccc(cn1)F
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClCc1ccc(cn1)F
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__