AB46022
24915-95-5 | Ethyl (R)-3-hydroxybutyrate
Manufacturer: A2B Chem
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CatalogNumber
AB46022
ChemicalName
Ethyl (R)-3-hydroxybutyrate
CasNumber
24915-95-5
MolecularFormula
C6H12O3
MolecularWeight
132.1577
MdlNumber
MFCD00075386
Smiles
CCOC(=O)CC(O)C
Complexity
90.3
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
0.2
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CatalogNumber: AB46022
ChemicalName: Ethyl (R)-3-hydroxybutyrate
CasNumber: 24915-95-5
MolecularFormula: C6H12O3
MolecularWeight: 132.1577
MdlNumber: MFCD00075386
Smiles: CCOC(=O)CC(O)C
Complexity: 90.3
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 0.2
CatalogNumber:
AB46022
ChemicalName:
Ethyl (R)-3-hydroxybutyrate
CasNumber:
24915-95-5
MolecularFormula:
C6H12O3
MolecularWeight:
132.1577
MdlNumber:
MFCD00075386
Smiles:
CCOC(=O)CC(O)C
Complexity:
90.3
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
0.2
CatalogNumber: AB46023
ChemicalName: Ethyl (R)-(+)-4-chloro-3-hydroxybutyrate
CasNumber: 90866-33-4
MolecularFormula: C6H11ClO3
MolecularWeight: 166.6027
MdlNumber: MFCD00211242
Smiles: CCOC(=O)C[C@H](CCl)O
Complexity: 105
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 0.4
CatalogNumber:
AB46023
ChemicalName:
Ethyl (R)-(+)-4-chloro-3-hydroxybutyrate
CasNumber:
90866-33-4
MolecularFormula:
C6H11ClO3
MolecularWeight:
166.6027
MdlNumber:
MFCD00211242
Smiles:
CCOC(=O)C[C@H](CCl)O
Complexity:
105
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
0.4
CatalogNumber: AB46024
ChemicalName: L-Pyroglutamic acid ethyl ester
CasNumber: 7149-65-7
MolecularFormula: C7H11NO3
MolecularWeight: 157.1671
MdlNumber: MFCD00064497
Smiles: CCOC(=O)[C@@H]1CCC(=O)N1
Complexity: 179
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: -0.1
CatalogNumber:
AB46024
ChemicalName:
L-Pyroglutamic acid ethyl ester
CasNumber:
7149-65-7
MolecularFormula:
C7H11NO3
MolecularWeight:
157.1671
MdlNumber:
MFCD00064497
Smiles:
CCOC(=O)[C@@H]1CCC(=O)N1
Complexity:
179
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
-0.1
CatalogNumber: AB46025
ChemicalName: Ethyl (s)-4-cyano-3-hydroxybutyrate
CasNumber: 312745-91-8
MolecularFormula: C7H11NO3
MolecularWeight: 157.1671
MdlNumber: MFCD00672878
Smiles: CCOC(=O)C[C@H](CC#N)O
Complexity: 170
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: -0.5
CatalogNumber:
AB46025
ChemicalName:
Ethyl (s)-4-cyano-3-hydroxybutyrate
CasNumber:
312745-91-8
MolecularFormula:
C7H11NO3
MolecularWeight:
157.1671
MdlNumber:
MFCD00672878
Smiles:
CCOC(=O)C[C@H](CC#N)O
Complexity:
170
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
-0.5