AB75909
906816-32-8 | Methyl 3-methanesulfonyl-4-methylbenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB75909
ChemicalName
Methyl 3-methanesulfonyl-4-methylbenzoate
CasNumber
906816-32-8
MolecularFormula
C10H12O4S
MolecularWeight
228.2649
MdlNumber
MFCD22586702
Smiles
COC(=O)c1ccc(c(c1)S(=O)(=O)C)C
Complexity
328
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
1.4
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CatalogNumber: AB75909
ChemicalName: Methyl 3-methanesulfonyl-4-methylbenzoate
CasNumber: 906816-32-8
MolecularFormula: C10H12O4S
MolecularWeight: 228.2649
MdlNumber: MFCD22586702
Smiles: COC(=O)c1ccc(c(c1)S(=O)(=O)C)C
Complexity: 328
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 1.4
CatalogNumber:
AB75909
ChemicalName:
Methyl 3-methanesulfonyl-4-methylbenzoate
CasNumber:
906816-32-8
MolecularFormula:
C10H12O4S
MolecularWeight:
228.2649
MdlNumber:
MFCD22586702
Smiles:
COC(=O)c1ccc(c(c1)S(=O)(=O)C)C
Complexity:
328
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C
Complexity: 309
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C
Complexity:
309
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.7
CatalogNumber: AB75911
ChemicalName: Methyl 4-methyl-4-nitropentanoate
CasNumber: 16507-02-1
MolecularFormula: C7H13NO4
MolecularWeight: 175.18241999999998
MdlNumber: MFCD00047757
Smiles: COC(=O)CCC(N(=O)=O)(C)C
Complexity: 182
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 0.8
CatalogNumber:
AB75911
ChemicalName:
Methyl 4-methyl-4-nitropentanoate
CasNumber:
16507-02-1
MolecularFormula:
C7H13NO4
MolecularWeight:
175.18241999999998
MdlNumber:
MFCD00047757
Smiles:
COC(=O)CCC(N(=O)=O)(C)C
Complexity:
182
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)Cc1ccc(cc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)Cc1ccc(cc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__