AB46527
57595-23-0 | Methyl 4-oxotetrahydrofuran-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB46527
ChemicalName
Methyl 4-oxotetrahydrofuran-3-carboxylate
CasNumber
57595-23-0
MolecularFormula
C6H8O4
MolecularWeight
144.1253
MdlNumber
MFCD19707049
Smiles
COC(=O)C1COCC1=O
Complexity
163
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
4
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
-0.2
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CatalogNumber: AB46527
ChemicalName: Methyl 4-oxotetrahydrofuran-3-carboxylate
CasNumber: 57595-23-0
MolecularFormula: C6H8O4
MolecularWeight: 144.1253
MdlNumber: MFCD19707049
Smiles: COC(=O)C1COCC1=O
Complexity: 163
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.2
CatalogNumber:
AB46527
ChemicalName:
Methyl 4-oxotetrahydrofuran-3-carboxylate
CasNumber:
57595-23-0
MolecularFormula:
C6H8O4
MolecularWeight:
144.1253
MdlNumber:
MFCD19707049
Smiles:
COC(=O)C1COCC1=O
Complexity:
163
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)Cc1ccncc1.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)Cc1ccncc1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cscn1
Complexity: 118
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cscn1
Complexity:
118
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.1
CatalogNumber: AB46530
ChemicalName: Methyl 5-bromo-1H-indazole-3-carboxylate
CasNumber: 78155-74-5
MolecularFormula: C9H7BrN2O2
MolecularWeight: 255.0681
MdlNumber: MFCD07371572
Smiles: COC(=O)c1n[nH]c2c1cc(Br)cc2
Complexity: 237
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 2.4
CatalogNumber:
AB46530
ChemicalName:
Methyl 5-bromo-1H-indazole-3-carboxylate
CasNumber:
78155-74-5
MolecularFormula:
C9H7BrN2O2
MolecularWeight:
255.0681
MdlNumber:
MFCD07371572
Smiles:
COC(=O)c1n[nH]c2c1cc(Br)cc2
Complexity:
237
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.4