AB42974
62214-39-5 | (S)-3-Butene-1,2-diol
Manufacturer: A2B Chem
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CatalogNumber
AB42974
ChemicalName
(S)-3-Butene-1,2-diol
CasNumber
62214-39-5
MolecularFormula
C4H8O2
MolecularWeight
88.1051
MdlNumber
MFCD00145261
Smiles
O[C@@H](C=C)CO
Complexity
42.8
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
6
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
-0.5
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CatalogNumber: AB42974
ChemicalName: (S)-3-Butene-1,2-diol
CasNumber: 62214-39-5
MolecularFormula: C4H8O2
MolecularWeight: 88.1051
MdlNumber: MFCD00145261
Smiles: O[C@@H](C=C)CO
Complexity: 42.8
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 6
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: -0.5
CatalogNumber:
AB42974
ChemicalName:
(S)-3-Butene-1,2-diol
CasNumber:
62214-39-5
MolecularFormula:
C4H8O2
MolecularWeight:
88.1051
MdlNumber:
MFCD00145261
Smiles:
O[C@@H](C=C)CO
Complexity:
42.8
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
6
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
-0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClC[C@@H]1CO1
Complexity: 37.9
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClC[C@@H]1CO1
Complexity:
37.9
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC[C@H](c1ccccc1)C(C)C
Complexity: 114
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC[C@H](c1ccccc1)C(C)C
Complexity:
114
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.4
CatalogNumber: AB42977
ChemicalName: (S)-3-Methylmorpholine
CasNumber: 350595-57-2
MolecularFormula: C5H11NO
MolecularWeight: 101.1469
MdlNumber: MFCD03840369
Smiles: C[C@H]1COCCN1
Complexity: 56
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: -0.1
CatalogNumber:
AB42977
ChemicalName:
(S)-3-Methylmorpholine
CasNumber:
350595-57-2
MolecularFormula:
C5H11NO
MolecularWeight:
101.1469
MdlNumber:
MFCD03840369
Smiles:
C[C@H]1COCCN1
Complexity:
56
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
-0.1