AI46562
28748-67-6 | Methyl 2-hydroxy-2-(thiophen-2-yl)-2-(thiophen-3-yl)acetate
Manufacturer: A2B Chem
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CatalogNumber
AI46562
ChemicalName
Methyl 2-hydroxy-2-(thiophen-2-yl)-2-(thiophen-3-yl)acetate
CasNumber
28748-67-6
MolecularFormula
C11H10O3S2
MolecularWeight
254.3253
MdlNumber
MFCD29059339
Smiles
COC(=O)C(c1cccs1)(c1ccsc1)O
Complexity
272
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
2
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CatalogNumber: AI46562
ChemicalName: Methyl 2-hydroxy-2-(thiophen-2-yl)-2-(thiophen-3-yl)acetate
CasNumber: 28748-67-6
MolecularFormula: C11H10O3S2
MolecularWeight: 254.3253
MdlNumber: MFCD29059339
Smiles: COC(=O)C(c1cccs1)(c1ccsc1)O
Complexity: 272
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 2
CatalogNumber:
AI46562
ChemicalName:
Methyl 2-hydroxy-2-(thiophen-2-yl)-2-(thiophen-3-yl)acetate
CasNumber:
28748-67-6
MolecularFormula:
C11H10O3S2
MolecularWeight:
254.3253
MdlNumber:
MFCD29059339
Smiles:
COC(=O)C(c1cccs1)(c1ccsc1)O
Complexity:
272
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
2
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Smiles: CC1(C)OB(OC1(C)C)C1CCC=C1
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Smiles:
CC1(C)OB(OC1(C)C)C1CCC=C1
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__
HydrogenBondAcceptorCount:
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Smiles: Clc1cc(cnc1n1cccc1)C(F)(F)F
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Smiles:
Clc1cc(cnc1n1cccc1)C(F)(F)F
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
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