AI52084
53936-56-4 | 4-((Tetrahydro-2H-pyran-2-yl)oxy)phenol
Manufacturer: A2B Chem
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CatalogNumber
AI52084
ChemicalName
4-((Tetrahydro-2H-pyran-2-yl)oxy)phenol
CasNumber
53936-56-4
MolecularFormula
C11H14O3
MolecularWeight
194.2270600000001
MdlNumber
MFCD09970981
Smiles
Oc1ccc(cc1)OC1CCCCO1
Complexity
164
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
2.4
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CatalogNumber: AI52084
ChemicalName: 4-((Tetrahydro-2H-pyran-2-yl)oxy)phenol
CasNumber: 53936-56-4
MolecularFormula: C11H14O3
MolecularWeight: 194.2270600000001
MdlNumber: MFCD09970981
Smiles: Oc1ccc(cc1)OC1CCCCO1
Complexity: 164
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.4
CatalogNumber:
AI52084
ChemicalName:
4-((Tetrahydro-2H-pyran-2-yl)oxy)phenol
CasNumber:
53936-56-4
MolecularFormula:
C11H14O3
MolecularWeight:
194.2270600000001
MdlNumber:
MFCD09970981
Smiles:
Oc1ccc(cc1)OC1CCCCO1
Complexity:
164
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCC1(NC(=O)NC1=O)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCC1(NC(=O)NC1=O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AI52086
ChemicalName: 2-{2-[(2-ethoxy-2-oxoethyl)sulfanyl]ethyl}-1,3-thiazolidine-4-carboxylic acid
CasNumber: 53943-88-7
MolecularFormula: C10H17NO4S2
MolecularWeight: 279.3763
MdlNumber: MFCD00867663
Smiles: CCOC(=O)CSCCC1NC(CS1)C(=O)O
Complexity: 275
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 8
UndefinedAtomStereocenterCount: 2
Xlogp3: -1
CatalogNumber:
AI52086
ChemicalName:
2-{2-[(2-ethoxy-2-oxoethyl)sulfanyl]ethyl}-1,3-thiazolidine-4-carboxylic acid
CasNumber:
53943-88-7
MolecularFormula:
C10H17NO4S2
MolecularWeight:
279.3763
MdlNumber:
MFCD00867663
Smiles:
CCOC(=O)CSCCC1NC(CS1)C(=O)O
Complexity:
275
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
8
UndefinedAtomStereocenterCount:
2
Xlogp3:
-1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CCc1cnc[nH]1.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CCc1cnc[nH]1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__