AE62169
1261925-74-9 | 4-(3,4-Dimethoxyphenyl)-2-hydroxybenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AE62169
ChemicalName
4-(3,4-Dimethoxyphenyl)-2-hydroxybenzoic acid
CasNumber
1261925-74-9
MolecularFormula
C15H14O5
MolecularWeight
274.2687
MdlNumber
MFCD18321377
Smiles
COc1cc(ccc1OC)c1ccc(c(c1)O)C(=O)O
Complexity
332
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
3.2
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CatalogNumber: AE62169
ChemicalName: 4-(3,4-Dimethoxyphenyl)-2-hydroxybenzoic acid
CasNumber: 1261925-74-9
MolecularFormula: C15H14O5
MolecularWeight: 274.2687
MdlNumber: MFCD18321377
Smiles: COc1cc(ccc1OC)c1ccc(c(c1)O)C(=O)O
Complexity: 332
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 3.2
CatalogNumber:
AE62169
ChemicalName:
4-(3,4-Dimethoxyphenyl)-2-hydroxybenzoic acid
CasNumber:
1261925-74-9
MolecularFormula:
C15H14O5
MolecularWeight:
274.2687
MdlNumber:
MFCD18321377
Smiles:
COc1cc(ccc1OC)c1ccc(c(c1)O)C(=O)O
Complexity:
332
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1C[C@H]([C@@H](C1)C(F)(F)F)C(=O)O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1C[C@H]([C@@H](C1)C(F)(F)F)C(=O)O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AE62171
ChemicalName: (3S)-Trichloromethyl-cis-tetrahydropyrrolo[1,2-c]oxazol-1-one
CasNumber: 1330286-50-4
MolecularFormula: C7H8Cl3NO2
MolecularWeight: 244.5029
MdlNumber: MFCD08274465
Smiles: O=C1O[C@H](N2[C@@H]1CCC2)C(Cl)(Cl)Cl
Complexity: 240
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.5
CatalogNumber:
AE62171
ChemicalName:
(3S)-Trichloromethyl-cis-tetrahydropyrrolo[1,2-c]oxazol-1-one
CasNumber:
1330286-50-4
MolecularFormula:
C7H8Cl3NO2
MolecularWeight:
244.5029
MdlNumber:
MFCD08274465
Smiles:
O=C1O[C@H](N2[C@@H]1CCC2)C(Cl)(Cl)Cl
Complexity:
240
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.5
CatalogNumber: AE62172
ChemicalName: 2-(2,4-Difluorophenyl)isonicotinic acid
CasNumber: 1258627-10-9
MolecularFormula: C12H7F2NO2
MolecularWeight: 235.1863
MdlNumber: MFCD17079067
Smiles: Fc1ccc(c(c1)F)c1nccc(c1)C(=O)O
Complexity: 288
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AE62172
ChemicalName:
2-(2,4-Difluorophenyl)isonicotinic acid
CasNumber:
1258627-10-9
MolecularFormula:
C12H7F2NO2
MolecularWeight:
235.1863
MdlNumber:
MFCD17079067
Smiles:
Fc1ccc(c(c1)F)c1nccc(c1)C(=O)O
Complexity:
288
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.2