AA93062
174813-84-4 | 4-[Hydroxy(4-methoxyphenyl)methyl]benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AA93062
ChemicalName
4-[Hydroxy(4-methoxyphenyl)methyl]benzonitrile
CasNumber
174813-84-4
MolecularFormula
C15H13NO2
MolecularWeight
239.2692
MdlNumber
MFCD22192553
Smiles
COc1ccc(cc1)C(c1ccc(cc1)C#N)O
Complexity
293
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
2.4
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CatalogNumber: AA93062
ChemicalName: 4-[Hydroxy(4-methoxyphenyl)methyl]benzonitrile
CasNumber: 174813-84-4
MolecularFormula: C15H13NO2
MolecularWeight: 239.2692
MdlNumber: MFCD22192553
Smiles: COc1ccc(cc1)C(c1ccc(cc1)C#N)O
Complexity: 293
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.4
CatalogNumber:
AA93062
ChemicalName:
4-[Hydroxy(4-methoxyphenyl)methyl]benzonitrile
CasNumber:
174813-84-4
MolecularFormula:
C15H13NO2
MolecularWeight:
239.2692
MdlNumber:
MFCD22192553
Smiles:
COc1ccc(cc1)C(c1ccc(cc1)C#N)O
Complexity:
293
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc(C)cc(c1)C.Cc1ccc(cc1)S(=O)(=O)[N-][C@H]([C@H](c1ccccc1)N)c1ccccc1.Cl[Ru+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cc(C)cc(c1)C.Cc1ccc(cc1)S(=O)(=O)[N-][C@H]([C@H](c1ccccc1)N)c1ccccc1.Cl[Ru+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1NC(=S)S/C/1=C/c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1NC(=S)S/C/1=C/c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1c(ccc2c1cccc2)P(c1ccccc1)c1ccccc1)N[C@@H]1CCCC[C@H]1NC(=O)c1c(ccc2c1cccc2)P(c1ccccc1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1c(ccc2c1cccc2)P(c1ccccc1)c1ccccc1)N[C@@H]1CCCC[C@H]1NC(=O)c1c(ccc2c1cccc2)P(c1ccccc1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__