AB51961
77544-68-4 | 2-(2-(2-Hydroxyethoxy)ethoxy)ethyl 4-methylbenzenesulfonate
Manufacturer: A2B Chem
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CatalogNumber
AB51961
ChemicalName
2-(2-(2-Hydroxyethoxy)ethoxy)ethyl 4-methylbenzenesulfonate
CasNumber
77544-68-4
MolecularFormula
C13H20O6S
MolecularWeight
304.3593
MdlNumber
MFCD18433414
Smiles
OCCOCCOCCOS(=O)(=O)c1ccc(cc1)C
Complexity
329
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
10
Xlogp3
0.5
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CatalogNumber: AB51961
ChemicalName: 2-(2-(2-Hydroxyethoxy)ethoxy)ethyl 4-methylbenzenesulfonate
CasNumber: 77544-68-4
MolecularFormula: C13H20O6S
MolecularWeight: 304.3593
MdlNumber: MFCD18433414
Smiles: OCCOCCOCCOS(=O)(=O)c1ccc(cc1)C
Complexity: 329
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 10
Xlogp3: 0.5
CatalogNumber:
AB51961
ChemicalName:
2-(2-(2-Hydroxyethoxy)ethoxy)ethyl 4-methylbenzenesulfonate
CasNumber:
77544-68-4
MolecularFormula:
C13H20O6S
MolecularWeight:
304.3593
MdlNumber:
MFCD18433414
Smiles:
OCCOCCOCCOS(=O)(=O)c1ccc(cc1)C
Complexity:
329
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
10
Xlogp3:
0.5
CatalogNumber: AB51962
ChemicalName: Diisopentyl phthalate
CasNumber: 605-50-5
MolecularFormula: C18H26O4
MolecularWeight: 306.3966
MdlNumber: MFCD00127736
Smiles: CC(CCOC(=O)c1ccccc1C(=O)OCCC(C)C)C
Complexity: 315
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 10
Xlogp3: 5.6
CatalogNumber:
AB51962
ChemicalName:
Diisopentyl phthalate
CasNumber:
605-50-5
MolecularFormula:
C18H26O4
MolecularWeight:
306.3966
MdlNumber:
MFCD00127736
Smiles:
CC(CCOC(=O)c1ccccc1C(=O)OCCC(C)C)C
Complexity:
315
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
10
Xlogp3:
5.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCc1ccc(cc1)C(=S)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCc1ccc(cc1)C(=S)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB51964
ChemicalName: H-Aib-OtBu HCl
CasNumber: 84758-81-6
MolecularFormula: C8H18ClNO2
MolecularWeight: 195.687
MdlNumber: MFCD08272284
Smiles: O=C(C(N)(C)C)OC(C)(C)C.Cl
Complexity: 156
Covalently-bondedUnitCount: 2
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AB51964
ChemicalName:
H-Aib-OtBu HCl
CasNumber:
84758-81-6
MolecularFormula:
C8H18ClNO2
MolecularWeight:
195.687
MdlNumber:
MFCD08272284
Smiles:
O=C(C(N)(C)C)OC(C)(C)C.Cl
Complexity:
156
Covalently-bondedUnitCount:
2
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
__