AB50188
154-23-4 | (+)-Catechin
Manufacturer: A2B Chem
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CatalogNumber
AB50188
ChemicalName
(+)-Catechin
CasNumber
154-23-4
MolecularFormula
C15H14O6
MolecularWeight
290.2681
MdlNumber
MFCD00075649
Smiles
Oc1cc2O[C@H](c3ccc(c(c3)O)O)[C@H](Cc2c(c1)O)O
Complexity
364
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
21
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
5
RotatableBondCount
1
Xlogp3
0.4
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CatalogNumber: AB50188
ChemicalName: (+)-Catechin
CasNumber: 154-23-4
MolecularFormula: C15H14O6
MolecularWeight: 290.2681
MdlNumber: MFCD00075649
Smiles: Oc1cc2O[C@H](c3ccc(c(c3)O)O)[C@H](Cc2c(c1)O)O
Complexity: 364
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 5
RotatableBondCount: 1
Xlogp3: 0.4
CatalogNumber:
AB50188
ChemicalName:
(+)-Catechin
CasNumber:
154-23-4
MolecularFormula:
C15H14O6
MolecularWeight:
290.2681
MdlNumber:
MFCD00075649
Smiles:
Oc1cc2O[C@H](c3ccc(c(c3)O)O)[C@H](Cc2c(c1)O)O
Complexity:
364
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
5
RotatableBondCount:
1
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc[n+](c1Br)[O-]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc[n+](c1Br)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(OC(C)(C)C)NC(C(C)(C)C)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(OC(C)(C)C)NC(C(C)(C)C)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB50191
ChemicalName: 4-Hydroxymethylbenzotrifluoride
CasNumber: 349-95-1
MolecularFormula: C8H7F3O
MolecularWeight: 176.1358
MdlNumber: MFCD00004661
Smiles: OCc1ccc(cc1)C(F)(F)F
Complexity: 136
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.1
CatalogNumber:
AB50191
ChemicalName:
4-Hydroxymethylbenzotrifluoride
CasNumber:
349-95-1
MolecularFormula:
C8H7F3O
MolecularWeight:
176.1358
MdlNumber:
MFCD00004661
Smiles:
OCc1ccc(cc1)C(F)(F)F
Complexity:
136
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.1