AF83964
408309-29-5 | 3-(1H-Pyrrol-2-yl)propanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AF83964
ChemicalName
3-(1H-Pyrrol-2-yl)propanoic acid
CasNumber
408309-29-5
MolecularFormula
C7H9NO2
MolecularWeight
139.15186
MdlNumber
MFCD08234482
Smiles
OC(=O)CCc1ccc[nH]1
Complexity
125
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
0.6
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CatalogNumber: AF83964
ChemicalName: 3-(1H-Pyrrol-2-yl)propanoic acid
CasNumber: 408309-29-5
MolecularFormula: C7H9NO2
MolecularWeight: 139.15186
MdlNumber: MFCD08234482
Smiles: OC(=O)CCc1ccc[nH]1
Complexity: 125
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 0.6
CatalogNumber:
AF83964
ChemicalName:
3-(1H-Pyrrol-2-yl)propanoic acid
CasNumber:
408309-29-5
MolecularFormula:
C7H9NO2
MolecularWeight:
139.15186
MdlNumber:
MFCD08234482
Smiles:
OC(=O)CCc1ccc[nH]1
Complexity:
125
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C)(C)OC(=O)N1CCC2(CC1)C3=C(C=CC(=C3)Cl)NC2=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C)(C)OC(=O)N1CCC2(CC1)C3=C(C=CC(=C3)Cl)NC2=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1c(Cl)onc1C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1c(Cl)onc1C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AF83967
ChemicalName: 2,4-Dichloro-5-ethylpyrimidine
CasNumber: 34171-40-9
MolecularFormula: C6H6Cl2N2
MolecularWeight: 177.0312
MdlNumber: MFCD11040247
Smiles: CCc1cnc(nc1Cl)Cl
Complexity: 110
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.9
CatalogNumber:
AF83967
ChemicalName:
2,4-Dichloro-5-ethylpyrimidine
CasNumber:
34171-40-9
MolecularFormula:
C6H6Cl2N2
MolecularWeight:
177.0312
MdlNumber:
MFCD11040247
Smiles:
CCc1cnc(nc1Cl)Cl
Complexity:
110
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.9