AB44251
65322-85-2 | 3-(4-Isobutylphenyl)propanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB44251
ChemicalName
3-(4-Isobutylphenyl)propanoic acid
CasNumber
65322-85-2
MolecularFormula
C13H18O2
MolecularWeight
206.2808
MdlNumber
MFCD08275589
Smiles
CC(Cc1ccc(cc1)CCC(=O)O)C
Complexity
191
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
3.3
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CatalogNumber: AB44251
ChemicalName: 3-(4-Isobutylphenyl)propanoic acid
CasNumber: 65322-85-2
MolecularFormula: C13H18O2
MolecularWeight: 206.2808
MdlNumber: MFCD08275589
Smiles: CC(Cc1ccc(cc1)CCC(=O)O)C
Complexity: 191
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 3.3
CatalogNumber:
AB44251
ChemicalName:
3-(4-Isobutylphenyl)propanoic acid
CasNumber:
65322-85-2
MolecularFormula:
C13H18O2
MolecularWeight:
206.2808
MdlNumber:
MFCD08275589
Smiles:
CC(Cc1ccc(cc1)CCC(=O)O)C
Complexity:
191
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
3.3
CatalogNumber: AB44252
ChemicalName: 4-Piperidinepropanol
CasNumber: 7037-49-2
MolecularFormula: C8H17NO
MolecularWeight: 143.2267
MdlNumber: MFCD02178380
Smiles: OCCCC1CCNCC1
Complexity: 79.3
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 0.6
CatalogNumber:
AB44252
ChemicalName:
4-Piperidinepropanol
CasNumber:
7037-49-2
MolecularFormula:
C8H17NO
MolecularWeight:
143.2267
MdlNumber:
MFCD02178380
Smiles:
OCCCC1CCNCC1
Complexity:
79.3
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cn1nnc(c1)COc1nn2c(nnc2c2c1cccc2)c1noc(c1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cn1nnc(c1)COc1nn2c(nnc2c2c1cccc2)c1noc(c1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCc1nn(c(c1)C)C
Complexity: 94.3
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCc1nn(c(c1)C)C
Complexity:
94.3
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.5