AA73110
1451-95-2 | Thiophene-2,3-dicarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA73110
ChemicalName
Thiophene-2,3-dicarboxylic acid
CasNumber
1451-95-2
MolecularFormula
C6H4O4S
MolecularWeight
172.15856000000002
MdlNumber
MFCD00034738
Smiles
OC(=O)c1sccc1C(=O)O
NscNumber
81792
Complexity
191
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
1
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CatalogNumber: AA73110
ChemicalName: Thiophene-2,3-dicarboxylic acid
CasNumber: 1451-95-2
MolecularFormula: C6H4O4S
MolecularWeight: 172.15856000000002
MdlNumber: MFCD00034738
Smiles: OC(=O)c1sccc1C(=O)O
NscNumber: 81792
Complexity: 191
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1
CatalogNumber:
AA73110
ChemicalName:
Thiophene-2,3-dicarboxylic acid
CasNumber:
1451-95-2
MolecularFormula:
C6H4O4S
MolecularWeight:
172.15856000000002
MdlNumber:
MFCD00034738
Smiles:
OC(=O)c1sccc1C(=O)O
NscNumber:
81792
Complexity:
191
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cccc(c1)C(=O)C(Br)C
NscNumber: __
Complexity: 167
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cccc(c1)C(=O)C(Br)C
NscNumber:
__
Complexity:
167
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCc1cc(OC)c2c(c1)OC([C@H]1[C@H]2CC(=CC1)C)(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CCCCCc1cc(OC)c2c(c1)OC([C@H]1[C@H]2CC(=CC1)C)(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=c1[nH]n2c(c1Cl)CCCC2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1[nH]n2c(c1Cl)CCCC2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__