AB63618
6970-19-0 | 3,4,5-Triethoxybenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB63618
ChemicalName
3,4,5-Triethoxybenzoic acid
CasNumber
6970-19-0
MolecularFormula
C13H18O5
MolecularWeight
254.279
MdlNumber
MFCD00002505
Smiles
CCOc1c(OCC)cc(cc1OCC)C(=O)O
NscNumber
66202
Complexity
240
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
7
Xlogp3
2.5
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CatalogNumber: AB63618
ChemicalName: 3,4,5-Triethoxybenzoic acid
CasNumber: 6970-19-0
MolecularFormula: C13H18O5
MolecularWeight: 254.279
MdlNumber: MFCD00002505
Smiles: CCOc1c(OCC)cc(cc1OCC)C(=O)O
NscNumber: 66202
Complexity: 240
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 7
Xlogp3: 2.5
CatalogNumber:
AB63618
ChemicalName:
3,4,5-Triethoxybenzoic acid
CasNumber:
6970-19-0
MolecularFormula:
C13H18O5
MolecularWeight:
254.279
MdlNumber:
MFCD00002505
Smiles:
CCOc1c(OCC)cc(cc1OCC)C(=O)O
NscNumber:
66202
Complexity:
240
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
7
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOc1c(OCC)cc(cc1OCC)CO
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOc1c(OCC)cc(cc1OCC)CO
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB63620
ChemicalName: 3',4',5'-Trifluoroacetophenone
CasNumber: 220141-73-1
MolecularFormula: C8H5F3O
MolecularWeight: 174.1199
MdlNumber: MFCD00083533
Smiles: CC(=O)c1cc(F)c(c(c1)F)F
NscNumber: __
Complexity: 171
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 1.9
CatalogNumber:
AB63620
ChemicalName:
3',4',5'-Trifluoroacetophenone
CasNumber:
220141-73-1
MolecularFormula:
C8H5F3O
MolecularWeight:
174.1199
MdlNumber:
MFCD00083533
Smiles:
CC(=O)c1cc(F)c(c(c1)F)F
NscNumber:
__
Complexity:
171
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)c1cc(F)c(c(c1)F)F
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)c1cc(F)c(c(c1)F)F
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__