AB69454
46029-22-5 | 5-Methylthiophene-2,3-dicarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB69454
ChemicalName
5-Methylthiophene-2,3-dicarboxylic acid
CasNumber
46029-22-5
MolecularFormula
C7H6O4S
MolecularWeight
186.1851
MdlNumber
MFCD14705596
Smiles
Cc1cc(c(s1)C(=O)O)C(=O)O
Complexity
216
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
1.4
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CatalogNumber: AB69454
ChemicalName: 5-Methylthiophene-2,3-dicarboxylic acid
CasNumber: 46029-22-5
MolecularFormula: C7H6O4S
MolecularWeight: 186.1851
MdlNumber: MFCD14705596
Smiles: Cc1cc(c(s1)C(=O)O)C(=O)O
Complexity: 216
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AB69454
ChemicalName:
5-Methylthiophene-2,3-dicarboxylic acid
CasNumber:
46029-22-5
MolecularFormula:
C7H6O4S
MolecularWeight:
186.1851
MdlNumber:
MFCD14705596
Smiles:
Cc1cc(c(s1)C(=O)O)C(=O)O
Complexity:
216
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.4
CatalogNumber: AB69455
ChemicalName: 5-Methylthiophene-2-boronic acid, pinacol ester
CasNumber: 476004-80-5
MolecularFormula: C11H17BO2S
MolecularWeight: 224.1275
MdlNumber: MFCD05664108
Smiles: Cc1ccc(s1)B1OC(C(O1)(C)C)(C)C
Complexity: 239
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AB69455
ChemicalName:
5-Methylthiophene-2-boronic acid, pinacol ester
CasNumber:
476004-80-5
MolecularFormula:
C11H17BO2S
MolecularWeight:
224.1275
MdlNumber:
MFCD05664108
Smiles:
Cc1ccc(s1)B1OC(C(O1)(C)C)(C)C
Complexity:
239
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1scc(c1)C(=O)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1scc(c1)C(=O)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cc(cc(c1C(=O)O)C(=O)O)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cc(cc(c1C(=O)O)C(=O)O)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__