AB65398
32768-20-0 | 3-Methylsalicylic acid sodium salt
Manufacturer: A2B Chem
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CatalogNumber
AB65398
ChemicalName
3-Methylsalicylic acid sodium salt
CasNumber
32768-20-0
MolecularFormula
C8H7NaO3
MolecularWeight
174.1292
MdlNumber
MFCD00058985
Smiles
[O-]C(=O)c1cccc(c1O)C.[Na+]
Complexity
160
Covalently-bondedUnitCount
2
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
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CatalogNumber: AB65398
ChemicalName: 3-Methylsalicylic acid sodium salt
CasNumber: 32768-20-0
MolecularFormula: C8H7NaO3
MolecularWeight: 174.1292
MdlNumber: MFCD00058985
Smiles: [O-]C(=O)c1cccc(c1O)C.[Na+]
Complexity: 160
Covalently-bondedUnitCount: 2
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
CatalogNumber:
AB65398
ChemicalName:
3-Methylsalicylic acid sodium salt
CasNumber:
32768-20-0
MolecularFormula:
C8H7NaO3
MolecularWeight:
174.1292
MdlNumber:
MFCD00058985
Smiles:
[O-]C(=O)c1cccc(c1O)C.[Na+]
Complexity:
160
Covalently-bondedUnitCount:
2
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1CCS(=O)(=O)C1
Complexity: 163
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1CCS(=O)(=O)C1
Complexity:
163
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AB65400
ChemicalName: 3-(Methylsulfonyl)phenylacetic acid
CasNumber: 1877-64-1
MolecularFormula: C9H10O4S
MolecularWeight: 214.2383
MdlNumber: MFCD03426066
Smiles: OC(=O)Cc1cccc(c1)S(=O)(=O)C
Complexity: 301
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
CatalogNumber:
AB65400
ChemicalName:
3-(Methylsulfonyl)phenylacetic acid
CasNumber:
1877-64-1
MolecularFormula:
C9H10O4S
MolecularWeight:
214.2383
MdlNumber:
MFCD03426066
Smiles:
OC(=O)Cc1cccc(c1)S(=O)(=O)C
Complexity:
301
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1OC(=O)C2C1C(C)C=CC2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1OC(=O)C2C1C(C)C=CC2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__