AB46578
84355-44-2 | methyl tetrahydro-2H-pyran-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB46578
ChemicalName
methyl tetrahydro-2H-pyran-2-carboxylate
CasNumber
84355-44-2
MolecularFormula
C7H12O3
MolecularWeight
144.1684
MdlNumber
MFCD12198853
Smiles
COC(=O)C1CCCCO1
Complexity
122
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
0.9
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CatalogNumber: AB46578
ChemicalName: methyl tetrahydro-2H-pyran-2-carboxylate
CasNumber: 84355-44-2
MolecularFormula: C7H12O3
MolecularWeight: 144.1684
MdlNumber: MFCD12198853
Smiles: COC(=O)C1CCCCO1
Complexity: 122
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.9
CatalogNumber:
AB46578
ChemicalName:
methyl tetrahydro-2H-pyran-2-carboxylate
CasNumber:
84355-44-2
MolecularFormula:
C7H12O3
MolecularWeight:
144.1684
MdlNumber:
MFCD12198853
Smiles:
COC(=O)C1CCCCO1
Complexity:
122
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.9
CatalogNumber: AB46579
ChemicalName: Methyl thiosalicylate
CasNumber: 4892-02-8
MolecularFormula: C8H8O2S
MolecularWeight: 168.21292000000003
MdlNumber: MFCD00060678
Smiles: COC(=O)c1ccccc1S
Complexity: 147
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 1.9
CatalogNumber:
AB46579
ChemicalName:
Methyl thiosalicylate
CasNumber:
4892-02-8
MolecularFormula:
C8H8O2S
MolecularWeight:
168.21292000000003
MdlNumber:
MFCD00060678
Smiles:
COC(=O)c1ccccc1S
Complexity:
147
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)/C=C/c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)/C=C/c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COS(=O)(=O)C(F)(F)F
Complexity: 172
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 0.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COS(=O)(=O)C(F)(F)F
Complexity:
172
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.9