AB44431
5652-38-0 | 3-Phenylamino-propionic acid
Manufacturer: A2B Chem
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CatalogNumber
AB44431
ChemicalName
3-Phenylamino-propionic acid
CasNumber
5652-38-0
MolecularFormula
C9H11NO2
MolecularWeight
165.1891
MdlNumber
MFCD00089905
Smiles
OC(=O)CCNc1ccccc1
NscNumber
54626
Complexity
142
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
2
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CatalogNumber: AB44431
ChemicalName: 3-Phenylamino-propionic acid
CasNumber: 5652-38-0
MolecularFormula: C9H11NO2
MolecularWeight: 165.1891
MdlNumber: MFCD00089905
Smiles: OC(=O)CCNc1ccccc1
NscNumber: 54626
Complexity: 142
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 2
CatalogNumber:
AB44431
ChemicalName:
3-Phenylamino-propionic acid
CasNumber:
5652-38-0
MolecularFormula:
C9H11NO2
MolecularWeight:
165.1891
MdlNumber:
MFCD00089905
Smiles:
OC(=O)CCNc1ccccc1
NscNumber:
54626
Complexity:
142
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N1CC2CC(C1)C2.Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N1CC2CC(C1)C2.Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C1CNC1
NscNumber: __
Complexity: 87.7
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -3.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C1CNC1
NscNumber:
__
Complexity:
87.7
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-3.2
CatalogNumber: AB44435
ChemicalName: 3-Benzyloxy acetophenone
CasNumber: 34068-01-4
MolecularFormula: C15H14O2
MolecularWeight: 226.2705
MdlNumber: MFCD00026221
Smiles: CC(=O)c1cccc(c1)OCc1ccccc1
NscNumber: 159118
Complexity: 243
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 3.5
CatalogNumber:
AB44435
ChemicalName:
3-Benzyloxy acetophenone
CasNumber:
34068-01-4
MolecularFormula:
C15H14O2
MolecularWeight:
226.2705
MdlNumber:
MFCD00026221
Smiles:
CC(=O)c1cccc(c1)OCc1ccccc1
NscNumber:
159118
Complexity:
243
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
3.5