AA49344
13669-10-8 | 3-Oxo-3-thiophen-2-yl-propionic acid ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AA49344
ChemicalName
3-Oxo-3-thiophen-2-yl-propionic acid ethyl ester
CasNumber
13669-10-8
MolecularFormula
C9H10O3S
MolecularWeight
198.2389
MdlNumber
MFCD00542649
Smiles
CCOC(=O)CC(=O)c1cccs1
NscNumber
80416
Complexity
203
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
RotatableBondCount
5
Xlogp3
2
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CatalogNumber: AA49344
ChemicalName: 3-Oxo-3-thiophen-2-yl-propionic acid ethyl ester
CasNumber: 13669-10-8
MolecularFormula: C9H10O3S
MolecularWeight: 198.2389
MdlNumber: MFCD00542649
Smiles: CCOC(=O)CC(=O)c1cccs1
NscNumber: 80416
Complexity: 203
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 5
Xlogp3: 2
CatalogNumber:
AA49344
ChemicalName:
3-Oxo-3-thiophen-2-yl-propionic acid ethyl ester
CasNumber:
13669-10-8
MolecularFormula:
C9H10O3S
MolecularWeight:
198.2389
MdlNumber:
MFCD00542649
Smiles:
CCOC(=O)CC(=O)c1cccs1
NscNumber:
80416
Complexity:
203
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
5
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1cccs1)CCC(=O)c1cccs1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(c1cccs1)CCC(=O)c1cccs1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClCC(=O)c1cc(sc1Cl)Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClCC(=O)c1cc(sc1Cl)Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CC1CCC=C1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CC1CCC=C1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__