AB63094
1084-74-8 | 4-(2,5-Dimethoxyphenyl)-4-oxobutanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB63094
ChemicalName
4-(2,5-Dimethoxyphenyl)-4-oxobutanoic acid
CasNumber
1084-74-8
MolecularFormula
C12H14O5
MolecularWeight
238.2366
MdlNumber
MFCD00089268
Smiles
COc1ccc(cc1C(=O)CCC(=O)O)OC
NscNumber
103070
Complexity
276
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
1
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CatalogNumber: AB63094
ChemicalName: 4-(2,5-Dimethoxyphenyl)-4-oxobutanoic acid
CasNumber: 1084-74-8
MolecularFormula: C12H14O5
MolecularWeight: 238.2366
MdlNumber: MFCD00089268
Smiles: COc1ccc(cc1C(=O)CCC(=O)O)OC
NscNumber: 103070
Complexity: 276
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 1
CatalogNumber:
AB63094
ChemicalName:
4-(2,5-Dimethoxyphenyl)-4-oxobutanoic acid
CasNumber:
1084-74-8
MolecularFormula:
C12H14O5
MolecularWeight:
238.2366
MdlNumber:
MFCD00089268
Smiles:
COc1ccc(cc1C(=O)CCC(=O)O)OC
NscNumber:
103070
Complexity:
276
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ncccc1/C=C/C(=O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ncccc1/C=C/C(=O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB63096
ChemicalName: 3-(2-Amino-4-thiazolyl)benzoic acid
CasNumber: 862254-43-1
MolecularFormula: C10H8N2O2S
MolecularWeight: 220.2477
MdlNumber: MFCD12196529
Smiles: Nc1scc(n1)c1cccc(c1)C(=O)O
NscNumber: __
Complexity: 250
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AB63096
ChemicalName:
3-(2-Amino-4-thiazolyl)benzoic acid
CasNumber:
862254-43-1
MolecularFormula:
C10H8N2O2S
MolecularWeight:
220.2477
MdlNumber:
MFCD12196529
Smiles:
Nc1scc(n1)c1cccc(c1)C(=O)O
NscNumber:
__
Complexity:
250
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1cccc(c1)c1csc(n1)N.Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1cccc(c1)c1csc(n1)N.Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__