AB63161
32161-30-1 | 3,4-Dimethoxy-L-phenylalanine
Manufacturer: A2B Chem
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CatalogNumber
AB63161
ChemicalName
3,4-Dimethoxy-L-phenylalanine
CasNumber
32161-30-1
MolecularFormula
C11H15NO4
MolecularWeight
225.2411
MdlNumber
MFCD01321274
Smiles
COc1cc(ccc1OC)C[C@@H](C(=O)O)N
Complexity
234
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
5
Xlogp3
-1.9
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CatalogNumber: AB63161
ChemicalName: 3,4-Dimethoxy-L-phenylalanine
CasNumber: 32161-30-1
MolecularFormula: C11H15NO4
MolecularWeight: 225.2411
MdlNumber: MFCD01321274
Smiles: COc1cc(ccc1OC)C[C@@H](C(=O)O)N
Complexity: 234
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: -1.9
CatalogNumber:
AB63161
ChemicalName:
3,4-Dimethoxy-L-phenylalanine
CasNumber:
32161-30-1
MolecularFormula:
C11H15NO4
MolecularWeight:
225.2411
MdlNumber:
MFCD01321274
Smiles:
COc1cc(ccc1OC)C[C@@H](C(=O)O)N
Complexity:
234
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
-1.9
CatalogNumber: AB63162
ChemicalName: 3-(3,4-Methylenedioxyphenyl)propionic acid
CasNumber: 2815-95-4
MolecularFormula: C10H10O4
MolecularWeight: 194.184
MdlNumber: MFCD00016909
Smiles: OC(=O)CCc1ccc2c(c1)OCO2
Complexity: 216
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.6
CatalogNumber:
AB63162
ChemicalName:
3-(3,4-Methylenedioxyphenyl)propionic acid
CasNumber:
2815-95-4
MolecularFormula:
C10H10O4
MolecularWeight:
194.184
MdlNumber:
MFCD00016909
Smiles:
OC(=O)CCc1ccc2c(c1)OCO2
Complexity:
216
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.6
CatalogNumber: AB63163
ChemicalName: 3-(3,5-Dichlorophenoxy)benzaldehyde
CasNumber: 81028-92-4
MolecularFormula: C13H8Cl2O2
MolecularWeight: 267.1074
MdlNumber: MFCD00003355
Smiles: O=Cc1cccc(c1)Oc1cc(Cl)cc(c1)Cl
Complexity: 250
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 4.6
CatalogNumber:
AB63163
ChemicalName:
3-(3,5-Dichlorophenoxy)benzaldehyde
CasNumber:
81028-92-4
MolecularFormula:
C13H8Cl2O2
MolecularWeight:
267.1074
MdlNumber:
MFCD00003355
Smiles:
O=Cc1cccc(c1)Oc1cc(Cl)cc(c1)Cl
Complexity:
250
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
4.6
CatalogNumber: AB63164
ChemicalName: 3-(3,5-Dichloro-phenyl)-propionic acid
CasNumber: 95333-95-2
MolecularFormula: C9H8Cl2O2
MolecularWeight: 219.06462
MdlNumber: MFCD04037332
Smiles: OC(=O)CCc1cc(Cl)cc(c1)Cl
Complexity: 175
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.9
CatalogNumber:
AB63164
ChemicalName:
3-(3,5-Dichloro-phenyl)-propionic acid
CasNumber:
95333-95-2
MolecularFormula:
C9H8Cl2O2
MolecularWeight:
219.06462
MdlNumber:
MFCD04037332
Smiles:
OC(=O)CCc1cc(Cl)cc(c1)Cl
Complexity:
175
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.9