AA37120
126432-36-8 | 2-(3,4,5-Trihydroxyphenyl)chromen-4-one
Manufacturer: A2B Chem
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CatalogNumber
AA37120
ChemicalName
2-(3,4,5-Trihydroxyphenyl)chromen-4-one
CasNumber
126432-36-8
MolecularFormula
C15H10O5
MolecularWeight
270.2369
MdlNumber
MFCD18450872
Smiles
Oc1c(O)cc(cc1O)c1cc(=O)c2c(o1)cccc2
Complexity
407
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
1
Xlogp3
2.5
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CatalogNumber: AA37120
ChemicalName: 2-(3,4,5-Trihydroxyphenyl)chromen-4-one
CasNumber: 126432-36-8
MolecularFormula: C15H10O5
MolecularWeight: 270.2369
MdlNumber: MFCD18450872
Smiles: Oc1c(O)cc(cc1O)c1cc(=O)c2c(o1)cccc2
Complexity: 407
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 1
Xlogp3: 2.5
CatalogNumber:
AA37120
ChemicalName:
2-(3,4,5-Trihydroxyphenyl)chromen-4-one
CasNumber:
126432-36-8
MolecularFormula:
C15H10O5
MolecularWeight:
270.2369
MdlNumber:
MFCD18450872
Smiles:
Oc1c(O)cc(cc1O)c1cc(=O)c2c(o1)cccc2
Complexity:
407
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
1
Xlogp3:
2.5
CatalogNumber: AA37122
ChemicalName: Benzyl 4-bromobutanoate
CasNumber: 126430-46-4
MolecularFormula: C11H13BrO2
MolecularWeight: 257.1237
MdlNumber: MFCD00143681
Smiles: BrCCCC(=O)OCc1ccccc1
Complexity: 165
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 6
Xlogp3: 3
CatalogNumber:
AA37122
ChemicalName:
Benzyl 4-bromobutanoate
CasNumber:
126430-46-4
MolecularFormula:
C11H13BrO2
MolecularWeight:
257.1237
MdlNumber:
MFCD00143681
Smiles:
BrCCCC(=O)OCc1ccccc1
Complexity:
165
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
6
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=CCOP(N(C(C)C)C(C)C)OCC=C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=CCOP(N(C(C)C)C(C)C)OCC=C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)COc1ccc2c(c1)oc(=O)cc2
Complexity: 322
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)COc1ccc2c(c1)oc(=O)cc2
Complexity:
322
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.5