AA57499
13831-03-3 | tert-Butyl propiolate
Manufacturer: A2B Chem
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CatalogNumber
AA57499
ChemicalName
tert-Butyl propiolate
CasNumber
13831-03-3
MolecularFormula
C7H10O2
MolecularWeight
126.1531
MdlNumber
MFCD00060100
Smiles
C#CC(=O)OC(C)(C)C
Complexity
154
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
1.6
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CatalogNumber: AA57499
ChemicalName: tert-Butyl propiolate
CasNumber: 13831-03-3
MolecularFormula: C7H10O2
MolecularWeight: 126.1531
MdlNumber: MFCD00060100
Smiles: C#CC(=O)OC(C)(C)C
Complexity: 154
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AA57499
ChemicalName:
tert-Butyl propiolate
CasNumber:
13831-03-3
MolecularFormula:
C7H10O2
MolecularWeight:
126.1531
MdlNumber:
MFCD00060100
Smiles:
C#CC(=O)OC(C)(C)C
Complexity:
154
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
1.6
CatalogNumber: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: OC(=O)C=CSCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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Smiles:
OC(=O)C=CSCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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Smiles: COc1cc(OC)ccc1CN1CCNC(=O)[C@H]1C
Complexity: __
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__
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COc1cc(OC)ccc1CN1CCNC(=O)[C@H]1C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C1CCNCCC1.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
COC(=O)C1CCNCCC1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__