AA99691
177036-94-1 | (2S)-2-[(4,6-dimethylpyrimidin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA99691
ChemicalName
(2S)-2-[(4,6-dimethylpyrimidin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoic acid
CasNumber
177036-94-1
MolecularFormula
C22H22N2O4
MolecularWeight
378.4211
MdlNumber
MFCD09842330
Smiles
COC([C@@H](C(=O)O)Oc1nc(C)cc(n1)C)(c1ccccc1)c1ccccc1
Complexity
475
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
28
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
7
Xlogp3
3.8
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CatalogNumber: AA99691
ChemicalName: (2S)-2-[(4,6-dimethylpyrimidin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoic acid
CasNumber: 177036-94-1
MolecularFormula: C22H22N2O4
MolecularWeight: 378.4211
MdlNumber: MFCD09842330
Smiles: COC([C@@H](C(=O)O)Oc1nc(C)cc(n1)C)(c1ccccc1)c1ccccc1
Complexity: 475
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 7
Xlogp3: 3.8
CatalogNumber:
AA99691
ChemicalName:
(2S)-2-[(4,6-dimethylpyrimidin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoic acid
CasNumber:
177036-94-1
MolecularFormula:
C22H22N2O4
MolecularWeight:
378.4211
MdlNumber:
MFCD09842330
Smiles:
COC([C@@H](C(=O)O)Oc1nc(C)cc(n1)C)(c1ccccc1)c1ccccc1
Complexity:
475
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
7
Xlogp3:
3.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC([C@@H](C(=O)OC)O)(c1ccccc1)c1ccccc1
Complexity: 312
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC([C@@H](C(=O)OC)O)(c1ccccc1)c1ccccc1
Complexity:
312
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.4
CatalogNumber: AA99695
ChemicalName: 4-Isopropoxyethoxymethylphenol
CasNumber: 177034-57-0
MolecularFormula: C12H18O3
MolecularWeight: 210.2695
MdlNumber: MFCD07782147
Smiles: CC(OCCOCc1ccc(cc1)O)C
Complexity: 151
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 1.9
CatalogNumber:
AA99695
ChemicalName:
4-Isopropoxyethoxymethylphenol
CasNumber:
177034-57-0
MolecularFormula:
C12H18O3
MolecularWeight:
210.2695
MdlNumber:
MFCD07782147
Smiles:
CC(OCCOCc1ccc(cc1)O)C
Complexity:
151
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
1.9
CatalogNumber: AA99696
ChemicalName: 2,4-Difluoro-5-methoxybenzaldehyde
CasNumber: 177034-25-2
MolecularFormula: C8H6F2O2
MolecularWeight: 172.1288
MdlNumber: MFCD24539280
Smiles: COc1cc(C=O)c(cc1F)F
Complexity: 163
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AA99696
ChemicalName:
2,4-Difluoro-5-methoxybenzaldehyde
CasNumber:
177034-25-2
MolecularFormula:
C8H6F2O2
MolecularWeight:
172.1288
MdlNumber:
MFCD24539280
Smiles:
COc1cc(C=O)c(cc1F)F
Complexity:
163
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
1.6