AB47317
54549-72-3 | 1-(4-(2-Hydroxypropan-2-yl)phenyl)ethanone
Manufacturer: A2B Chem
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CatalogNumber
AB47317
ChemicalName
1-(4-(2-Hydroxypropan-2-yl)phenyl)ethanone
CasNumber
54549-72-3
MolecularFormula
C11H14O2
MolecularWeight
178.2277
MdlNumber
MFCD18971205
Smiles
CC(=O)c1ccc(cc1)C(O)(C)C
Complexity
188
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.4
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CatalogNumber: AB47317
ChemicalName: 1-(4-(2-Hydroxypropan-2-yl)phenyl)ethanone
CasNumber: 54549-72-3
MolecularFormula: C11H14O2
MolecularWeight: 178.2277
MdlNumber: MFCD18971205
Smiles: CC(=O)c1ccc(cc1)C(O)(C)C
Complexity: 188
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AB47317
ChemicalName:
1-(4-(2-Hydroxypropan-2-yl)phenyl)ethanone
CasNumber:
54549-72-3
MolecularFormula:
C11H14O2
MolecularWeight:
178.2277
MdlNumber:
MFCD18971205
Smiles:
CC(=O)c1ccc(cc1)C(O)(C)C
Complexity:
188
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ccc(cc1)c1ccccc1
Complexity: 141
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ccc(cc1)c1ccccc1
Complexity:
141
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc(N)c(cc1C)N
Complexity: 99.8
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cc(N)c(cc1C)N
Complexity:
99.8
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.3
CatalogNumber: AB47321
ChemicalName: Fmoc-3-carboxymethyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CasNumber: 215190-27-5
MolecularFormula: C30H29N3O5
MolecularWeight: 511.5684
MdlNumber: MFCD00673795
Smiles: OC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)OCC1c2ccccc2-c2c1cccc2)c1ccccc1
Complexity: 874
Covalently-bondedUnitCount: 1
HeavyAtomCount: 38
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 4.4
CatalogNumber:
AB47321
ChemicalName:
Fmoc-3-carboxymethyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CasNumber:
215190-27-5
MolecularFormula:
C30H29N3O5
MolecularWeight:
511.5684
MdlNumber:
MFCD00673795
Smiles:
OC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)OCC1c2ccccc2-c2c1cccc2)c1ccccc1
Complexity:
874
Covalently-bondedUnitCount:
1
HeavyAtomCount:
38
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
4.4