AB75436
110104-60-4 | Methyl E-4-chloro-3-methoxy-2-butenoate
Manufacturer: A2B Chem
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CatalogNumber
AB75436
ChemicalName
Methyl E-4-chloro-3-methoxy-2-butenoate
CasNumber
110104-60-4
MolecularFormula
C6H9ClO3
MolecularWeight
164.5869
MdlNumber
MFCD00071562
Smiles
COC(=O)/C=C(/OC)CCl
Complexity
142
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
RotatableBondCount
4
Xlogp3
0.7
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CatalogNumber: AB75436
ChemicalName: Methyl E-4-chloro-3-methoxy-2-butenoate
CasNumber: 110104-60-4
MolecularFormula: C6H9ClO3
MolecularWeight: 164.5869
MdlNumber: MFCD00071562
Smiles: COC(=O)/C=C(/OC)CCl
Complexity: 142
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 0.7
CatalogNumber:
AB75436
ChemicalName:
Methyl E-4-chloro-3-methoxy-2-butenoate
CasNumber:
110104-60-4
MolecularFormula:
C6H9ClO3
MolecularWeight:
164.5869
MdlNumber:
MFCD00071562
Smiles:
COC(=O)/C=C(/OC)CCl
Complexity:
142
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)CSc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)CSc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB75438
ChemicalName: Methyl (R)-(-)-3-hydroxybutyrate
CasNumber: 3976-69-0
MolecularFormula: C5H10O3
MolecularWeight: 118.1311
MdlNumber: MFCD00063289
Smiles: COC(=O)C[C@H](O)C
Complexity: 79.7
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: -0.2
CatalogNumber:
AB75438
ChemicalName:
Methyl (R)-(-)-3-hydroxybutyrate
CasNumber:
3976-69-0
MolecularFormula:
C5H10O3
MolecularWeight:
118.1311
MdlNumber:
MFCD00063289
Smiles:
COC(=O)C[C@H](O)C
Complexity:
79.7
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
-0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C(Oc1ccc(cc1)O)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C(Oc1ccc(cc1)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__