AB44245
621-54-5 | 3-(3-Hydroxyphenyl)propionic acid
Manufacturer: A2B Chem
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CatalogNumber
AB44245
ChemicalName
3-(3-Hydroxyphenyl)propionic acid
CasNumber
621-54-5
MolecularFormula
C9H10O3
MolecularWeight
166.1739
MdlNumber
MFCD00016554
Smiles
OC(=O)CCc1cccc(c1)O
Complexity
156
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
1.4
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CatalogNumber: AB44245
ChemicalName: 3-(3-Hydroxyphenyl)propionic acid
CasNumber: 621-54-5
MolecularFormula: C9H10O3
MolecularWeight: 166.1739
MdlNumber: MFCD00016554
Smiles: OC(=O)CCc1cccc(c1)O
Complexity: 156
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.4
CatalogNumber:
AB44245
ChemicalName:
3-(3-Hydroxyphenyl)propionic acid
CasNumber:
621-54-5
MolecularFormula:
C9H10O3
MolecularWeight:
166.1739
MdlNumber:
MFCD00016554
Smiles:
OC(=O)CCc1cccc(c1)O
Complexity:
156
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(NCCc1ccc(cc1)CCC(=O)O)nc2N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(NCCc1ccc(cc1)CCC(=O)O)nc2N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB44247
ChemicalName: 3-(4-Bromobenzoyl)propionic acid
CasNumber: 6340-79-0
MolecularFormula: C10H9BrO3
MolecularWeight: 257.0807
MdlNumber: MFCD00016563
Smiles: O=C(c1ccc(cc1)Br)CCC(=O)O
Complexity: 219
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.1
CatalogNumber:
AB44247
ChemicalName:
3-(4-Bromobenzoyl)propionic acid
CasNumber:
6340-79-0
MolecularFormula:
C10H9BrO3
MolecularWeight:
257.0807
MdlNumber:
MFCD00016563
Smiles:
O=C(c1ccc(cc1)Br)CCC(=O)O
Complexity:
219
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CC(C1)c1ccc(cc1)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CC(C1)c1ccc(cc1)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__