AI55050
6921-64-8 | 1-(2-Hydroxy-4-methylphenyl)ethan-1-one
Manufacturer: A2B Chem
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CatalogNumber
AI55050
ChemicalName
1-(2-Hydroxy-4-methylphenyl)ethan-1-one
CasNumber
6921-64-8
MolecularFormula
C9H10O2
MolecularWeight
150.1745
MdlNumber
MFCD00100559
Smiles
Cc1ccc(c(c1)O)C(=O)C
Complexity
154
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.2
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CatalogNumber: AI55050
ChemicalName: 1-(2-Hydroxy-4-methylphenyl)ethan-1-one
CasNumber: 6921-64-8
MolecularFormula: C9H10O2
MolecularWeight: 150.1745
MdlNumber: MFCD00100559
Smiles: Cc1ccc(c(c1)O)C(=O)C
Complexity: 154
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.2
CatalogNumber:
AI55050
ChemicalName:
1-(2-Hydroxy-4-methylphenyl)ethan-1-one
CasNumber:
6921-64-8
MolecularFormula:
C9H10O2
MolecularWeight:
150.1745
MdlNumber:
MFCD00100559
Smiles:
Cc1ccc(c(c1)O)C(=O)C
Complexity:
154
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.2
CatalogNumber: AI55051
ChemicalName: 3,3-Dimethyl-1,5-dioxaspiro[5.5]undecan-9-one
CasNumber: 69225-59-8
MolecularFormula: C11H18O3
MolecularWeight: 198.2588
MdlNumber: MFCD00006652
Smiles: O=C1CCC2(CC1)OCC(CO2)(C)C
Complexity: 223
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1
CatalogNumber:
AI55051
ChemicalName:
3,3-Dimethyl-1,5-dioxaspiro[5.5]undecan-9-one
CasNumber:
69225-59-8
MolecularFormula:
C11H18O3
MolecularWeight:
198.2588
MdlNumber:
MFCD00006652
Smiles:
O=C1CCC2(CC1)OCC(CO2)(C)C
Complexity:
223
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1
CatalogNumber: AI55052
ChemicalName: Glycylglycyl-l-isoleucine
CasNumber: 69242-40-6
MolecularFormula: C10H19N3O4
MolecularWeight: 245.2756
MdlNumber: MFCD00047934
Smiles: NCC(=O)NCC(=O)NC(C(CC)C)C(=O)O
Complexity: 293
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 4
RotatableBondCount: 7
Xlogp3: -3
CatalogNumber:
AI55052
ChemicalName:
Glycylglycyl-l-isoleucine
CasNumber:
69242-40-6
MolecularFormula:
C10H19N3O4
MolecularWeight:
245.2756
MdlNumber:
MFCD00047934
Smiles:
NCC(=O)NCC(=O)NC(C(CC)C)C(=O)O
Complexity:
293
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
4
RotatableBondCount:
7
Xlogp3:
-3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1ccc(cc1)C(=O)Nc1cc(C)ccc1C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1ccc(cc1)C(=O)Nc1cc(C)ccc1C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__