AC90117
71441-28-6 | TTNPB
Manufacturer: A2B Chem
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CatalogNumber
AC90117
ChemicalName
TTNPB
CasNumber
71441-28-6
MolecularFormula
C24H28O2
MolecularWeight
348.4779
MdlNumber
MFCD00673917
Smiles
CC(=Cc1ccc(cc1)C(=O)O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Complexity
549
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
26
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
7.5
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CatalogNumber: AC90117
ChemicalName: TTNPB
CasNumber: 71441-28-6
MolecularFormula: C24H28O2
MolecularWeight: 348.4779
MdlNumber: MFCD00673917
Smiles: CC(=Cc1ccc(cc1)C(=O)O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Complexity: 549
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 7.5
CatalogNumber:
AC90117
ChemicalName:
TTNPB
CasNumber:
71441-28-6
MolecularFormula:
C24H28O2
MolecularWeight:
348.4779
MdlNumber:
MFCD00673917
Smiles:
CC(=Cc1ccc(cc1)C(=O)O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Complexity:
549
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
7.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1ccc(cc1)CP(=O)(OCC)OCC
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1ccc(cc1)CP(=O)(OCC)OCC
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(=O)[nH]n1.O
Complexity: 169
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(=O)[nH]n1.O
Complexity:
169
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ccc2c(c1)[nH]c(=O)c(=O)[nH]2
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ccc2c(c1)[nH]c(=O)c(=O)[nH]2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__