AA78714
15667-21-7 | D-Erythronolactone
Manufacturer: A2B Chem
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CatalogNumber
AA78714
ChemicalName
D-Erythronolactone
CasNumber
15667-21-7
MolecularFormula
C4H6O4
MolecularWeight
118.088
MdlNumber
MFCD00077763
Smiles
O[C@@H]1[C@H](O)COC1=O
Complexity
111
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
8
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
Xlogp3
-1.3
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CatalogNumber: AA78714
ChemicalName: D-Erythronolactone
CasNumber: 15667-21-7
MolecularFormula: C4H6O4
MolecularWeight: 118.088
MdlNumber: MFCD00077763
Smiles: O[C@@H]1[C@H](O)COC1=O
Complexity: 111
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
Xlogp3: -1.3
CatalogNumber:
AA78714
ChemicalName:
D-Erythronolactone
CasNumber:
15667-21-7
MolecularFormula:
C4H6O4
MolecularWeight:
118.088
MdlNumber:
MFCD00077763
Smiles:
O[C@@H]1[C@H](O)COC1=O
Complexity:
111
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
Xlogp3:
-1.3
CatalogNumber: AA78715
ChemicalName: Octyl cyanoacetate
CasNumber: 15666-97-4
MolecularFormula: C11H19NO2
MolecularWeight: 197.2741
MdlNumber: MFCD00075425
Smiles: CCCCCCCCOC(=O)CC#N
Complexity: 193
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
Xlogp3: 3.3
CatalogNumber:
AA78715
ChemicalName:
Octyl cyanoacetate
CasNumber:
15666-97-4
MolecularFormula:
C11H19NO2
MolecularWeight:
197.2741
MdlNumber:
MFCD00075425
Smiles:
CCCCCCCCOC(=O)CC#N
Complexity:
193
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: c1ccc(cc1)C1=Nc2c3c(N1)cccc3ccc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
c1ccc(cc1)C1=Nc2c3c(N1)cccc3ccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccccc1C1=Nc2c3c(N1)cccc3ccc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccccc1C1=Nc2c3c(N1)cccc3ccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
__