AI45254
221360-90-3 | 2-Methoxy-4-morpholinobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI45254
ChemicalName
2-Methoxy-4-morpholinobenzoic acid
CasNumber
221360-90-3
MolecularFormula
C12H15NO4
MolecularWeight
237.2518
MdlNumber
MFCD09910406
Smiles
COc1cc(ccc1C(=O)O)N1CCOCC1
Complexity
265
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.2
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CatalogNumber: AI45254
ChemicalName: 2-Methoxy-4-morpholinobenzoic acid
CasNumber: 221360-90-3
MolecularFormula: C12H15NO4
MolecularWeight: 237.2518
MdlNumber: MFCD09910406
Smiles: COc1cc(ccc1C(=O)O)N1CCOCC1
Complexity: 265
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.2
CatalogNumber:
AI45254
ChemicalName:
2-Methoxy-4-morpholinobenzoic acid
CasNumber:
221360-90-3
MolecularFormula:
C12H15NO4
MolecularWeight:
237.2518
MdlNumber:
MFCD09910406
Smiles:
COc1cc(ccc1C(=O)O)N1CCOCC1
Complexity:
265
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)O[C@@H]1/C=C/[C@@](C)(O)C(=O)[C@H](C/C=C/[C@@H]2[C@]31C(=O)N[C@H]([C@@H]3[C@H](C)C(=C)[C@H]2O)Cc1ccccc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)O[C@@H]1/C=C/[C@@](C)(O)C(=O)[C@H](C/C=C/[C@@H]2[C@]31C(=O)N[C@H]([C@@H]3[C@H](C)C(=C)[C@H]2O)Cc1ccccc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)NC(C(C)(C)C)C(=O)O
Complexity: 193
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)NC(C(C)(C)C)C(=O)O
Complexity:
193
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC1C(OC(C(C1O)O)C)Oc1ccc(cc1)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC1C(OC(C(C1O)O)C)Oc1ccc(cc1)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__