AB00794
178306-51-9 | 2-Hydroxy-3-methoxy-3,3-diphenylpropanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB00794
ChemicalName
2-Hydroxy-3-methoxy-3,3-diphenylpropanoic acid
CasNumber
178306-51-9
MolecularFormula
C16H16O4
MolecularWeight
272.2958
MdlNumber
MFCD13152279
Smiles
COC(C(C(=O)O)O)(c1ccccc1)c1ccccc1
Complexity
298
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
2
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CatalogNumber: AB00794
ChemicalName: 2-Hydroxy-3-methoxy-3,3-diphenylpropanoic acid
CasNumber: 178306-51-9
MolecularFormula: C16H16O4
MolecularWeight: 272.2958
MdlNumber: MFCD13152279
Smiles: COC(C(C(=O)O)O)(c1ccccc1)c1ccccc1
Complexity: 298
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 2
CatalogNumber:
AB00794
ChemicalName:
2-Hydroxy-3-methoxy-3,3-diphenylpropanoic acid
CasNumber:
178306-51-9
MolecularFormula:
C16H16O4
MolecularWeight:
272.2958
MdlNumber:
MFCD13152279
Smiles:
COC(C(C(=O)O)O)(c1ccccc1)c1ccccc1
Complexity:
298
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(C(C(=O)OC)O)(c1ccccc1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
COC(C(C(=O)OC)O)(c1ccccc1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cc(ccc1c1ccccc1)B(O)O
Complexity: 219
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cc(ccc1c1ccccc1)B(O)O
Complexity:
219
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc2Sc3ccc(cc3N(c2cc1OC)CCCN(C)C)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc2Sc3ccc(cc3N(c2cc1OC)CCCN(C)C)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__