AB44250
1135-23-5 | 3-(4-Hydroxy-3-methoxyphenyl)propionic acid
Manufacturer: A2B Chem
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CatalogNumber
AB44250
ChemicalName
3-(4-Hydroxy-3-methoxyphenyl)propionic acid
CasNumber
1135-23-5
MolecularFormula
C10H12O4
MolecularWeight
196.1999
MdlNumber
MFCD00016558
Smiles
COc1cc(CCC(=O)O)ccc1O
Complexity
193
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
0.7
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CatalogNumber: AB44250
ChemicalName: 3-(4-Hydroxy-3-methoxyphenyl)propionic acid
CasNumber: 1135-23-5
MolecularFormula: C10H12O4
MolecularWeight: 196.1999
MdlNumber: MFCD00016558
Smiles: COc1cc(CCC(=O)O)ccc1O
Complexity: 193
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 0.7
CatalogNumber:
AB44250
ChemicalName:
3-(4-Hydroxy-3-methoxyphenyl)propionic acid
CasNumber:
1135-23-5
MolecularFormula:
C10H12O4
MolecularWeight:
196.1999
MdlNumber:
MFCD00016558
Smiles:
COc1cc(CCC(=O)O)ccc1O
Complexity:
193
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
0.7
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
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Smiles: Cn1nnc(c1)COc1nn2c(nnc2c2c1cccc2)c1noc(c1)C
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Smiles:
Cn1nnc(c1)COc1nn2c(nnc2c2c1cccc2)c1noc(c1)C
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HeavyAtomCount:
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RotatableBondCount:
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