AG55569
51522-22-6 | 4-Methyl-3-(methylsulfonyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG55569
ChemicalName
4-Methyl-3-(methylsulfonyl)benzoic acid
CasNumber
51522-22-6
MolecularFormula
C9H10O4S
MolecularWeight
214.2383
MdlNumber
MFCD10032483
Smiles
OC(=O)c1ccc(c(c1)S(=O)(=O)C)C
Complexity
314
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.1
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CatalogNumber: AG55569
ChemicalName: 4-Methyl-3-(methylsulfonyl)benzoic acid
CasNumber: 51522-22-6
MolecularFormula: C9H10O4S
MolecularWeight: 214.2383
MdlNumber: MFCD10032483
Smiles: OC(=O)c1ccc(c(c1)S(=O)(=O)C)C
Complexity: 314
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.1
CatalogNumber:
AG55569
ChemicalName:
4-Methyl-3-(methylsulfonyl)benzoic acid
CasNumber:
51522-22-6
MolecularFormula:
C9H10O4S
MolecularWeight:
214.2383
MdlNumber:
MFCD10032483
Smiles:
OC(=O)c1ccc(c(c1)S(=O)(=O)C)C
Complexity:
314
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: CC1(CC(CC(N1[O])(C)C)OP(=S)(N2CC2)N3CC3)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
CC1(CC(CC(N1[O])(C)C)OP(=S)(N2CC2)N3CC3)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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MolecularFormula: __
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Smiles: CCC(C)C1=C(C=CC(=C1)C)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
CCC(C)C1=C(C=CC(=C1)C)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ONC(=O)COP(=O)(O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ONC(=O)COP(=O)(O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__