AB56109
32556-71-1 | (S)-1-Octyn-3-ol
Manufacturer: A2B Chem
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CatalogNumber
AB56109
ChemicalName
(S)-1-Octyn-3-ol
CasNumber
32556-71-1
MolecularFormula
C8H14O
MolecularWeight
126.1962
MdlNumber
MFCD00191475
Smiles
CCCCC[C@@H](C#C)O
Complexity
98.4
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2
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CatalogNumber: AB56109
ChemicalName: (S)-1-Octyn-3-ol
CasNumber: 32556-71-1
MolecularFormula: C8H14O
MolecularWeight: 126.1962
MdlNumber: MFCD00191475
Smiles: CCCCC[C@@H](C#C)O
Complexity: 98.4
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2
CatalogNumber:
AB56109
ChemicalName:
(S)-1-Octyn-3-ol
CasNumber:
32556-71-1
MolecularFormula:
C8H14O
MolecularWeight:
126.1962
MdlNumber:
MFCD00191475
Smiles:
CCCCC[C@@H](C#C)O
Complexity:
98.4
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@H](c1ccccc1)CC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@H](c1ccccc1)CC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB56111
ChemicalName: (S)-(+)-Pantolactone
CasNumber: 5405-40-3
MolecularFormula: C6H10O3
MolecularWeight: 130.1418
MdlNumber: MFCD00216625
Smiles: O[C@@H]1C(=O)OCC1(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB56111
ChemicalName:
(S)-(+)-Pantolactone
CasNumber:
5405-40-3
MolecularFormula:
C6H10O3
MolecularWeight:
130.1418
MdlNumber:
MFCD00216625
Smiles:
O[C@@H]1C(=O)OCC1(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@H]1CCCNC1.Cl
Complexity: 56
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@H]1CCCNC1.Cl
Complexity:
56
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__