AB63272
618383-47-4 | 3-(4-Methoxyphenyl)-5-isoxazolecarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB63272
ChemicalName
3-(4-Methoxyphenyl)-5-isoxazolecarboxylic acid
CasNumber
618383-47-4
MolecularFormula
C11H9NO4
MolecularWeight
219.1935
MdlNumber
MFCD04124288
Smiles
COc1ccc(cc1)c1noc(c1)C(=O)O
Complexity
250
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.9
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CatalogNumber: AB63272
ChemicalName: 3-(4-Methoxyphenyl)-5-isoxazolecarboxylic acid
CasNumber: 618383-47-4
MolecularFormula: C11H9NO4
MolecularWeight: 219.1935
MdlNumber: MFCD04124288
Smiles: COc1ccc(cc1)c1noc(c1)C(=O)O
Complexity: 250
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.9
CatalogNumber:
AB63272
ChemicalName:
3-(4-Methoxyphenyl)-5-isoxazolecarboxylic acid
CasNumber:
618383-47-4
MolecularFormula:
C11H9NO4
MolecularWeight:
219.1935
MdlNumber:
MFCD04124288
Smiles:
COc1ccc(cc1)c1noc(c1)C(=O)O
Complexity:
250
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.9
CatalogNumber: AB63273
ChemicalName: 3-(4-Methoxyphenyl)-1-propanol
CasNumber: 5406-18-8
MolecularFormula: C10H14O2
MolecularWeight: 166.21696
MdlNumber: MFCD00002952
Smiles: OCCCc1ccc(cc1)OC
Complexity: 106
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.1
CatalogNumber:
AB63273
ChemicalName:
3-(4-Methoxyphenyl)-1-propanol
CasNumber:
5406-18-8
MolecularFormula:
C10H14O2
MolecularWeight:
166.21696
MdlNumber:
MFCD00002952
Smiles:
OCCCc1ccc(cc1)OC
Complexity:
106
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)CCCB1OC(C(O1)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)CCCB1OC(C(O1)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)c1n[nH]cc1
Complexity: 155
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)c1n[nH]cc1
Complexity:
155
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.8