AF00712
167627-34-1 | 4-(4-Benzyloxyphenyl)-3-methoxybenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AF00712
ChemicalName
4-(4-Benzyloxyphenyl)-3-methoxybenzoic acid
CasNumber
167627-34-1
MolecularFormula
C21H18O4
MolecularWeight
334.3652
MdlNumber
MFCD18322905
Smiles
COc1cc(ccc1c1ccc(cc1)OCc1ccccc1)C(=O)O
Complexity
410
Covalently-bondedUnitCount
1
HeavyAtomCount
25
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
4.5
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CatalogNumber: AF00712
ChemicalName: 4-(4-Benzyloxyphenyl)-3-methoxybenzoic acid
CasNumber: 167627-34-1
MolecularFormula: C21H18O4
MolecularWeight: 334.3652
MdlNumber: MFCD18322905
Smiles: COc1cc(ccc1c1ccc(cc1)OCc1ccccc1)C(=O)O
Complexity: 410
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 4.5
CatalogNumber:
AF00712
ChemicalName:
4-(4-Benzyloxyphenyl)-3-methoxybenzoic acid
CasNumber:
167627-34-1
MolecularFormula:
C21H18O4
MolecularWeight:
334.3652
MdlNumber:
MFCD18322905
Smiles:
COc1cc(ccc1c1ccc(cc1)OCc1ccccc1)C(=O)O
Complexity:
410
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
4.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)CNC(=O)c1ncccc1C(=O)NCc1ccc(cc1)OC
Complexity: 543
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)CNC(=O)c1ncccc1C(=O)NCc1ccc(cc1)OC
Complexity:
543
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.7
CatalogNumber: AF00715
ChemicalName: N-BOC-3,4-Dihydro-2(1H)-quinolinone
CasNumber: 194979-77-6
MolecularFormula: C14H17NO3
MolecularWeight: 247.2897
MdlNumber: MFCD22689123
Smiles: O=C1CCc2c(N1C(=O)OC(C)(C)C)cccc2
Complexity: 345
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AF00715
ChemicalName:
N-BOC-3,4-Dihydro-2(1H)-quinolinone
CasNumber:
194979-77-6
MolecularFormula:
C14H17NO3
MolecularWeight:
247.2897
MdlNumber:
MFCD22689123
Smiles:
O=C1CCc2c(N1C(=O)OC(C)(C)C)cccc2
Complexity:
345
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2.4
CatalogNumber: AF00717
ChemicalName: N-(4-Formylphenyl)-N-methanesulfonylmethanesulfonamide
CasNumber: 1445322-57-5
MolecularFormula: C9H11NO5S2
MolecularWeight: 277.3173
MdlNumber: MFCD25121761
Smiles: O=Cc1ccc(cc1)N(S(=O)(=O)C)S(=O)(=O)C
Complexity: 431
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 0.1
CatalogNumber:
AF00717
ChemicalName:
N-(4-Formylphenyl)-N-methanesulfonylmethanesulfonamide
CasNumber:
1445322-57-5
MolecularFormula:
C9H11NO5S2
MolecularWeight:
277.3173
MdlNumber:
MFCD25121761
Smiles:
O=Cc1ccc(cc1)N(S(=O)(=O)C)S(=O)(=O)C
Complexity:
431
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
0.1