AB42849
13613-65-5 | Sodium (R)-3-hydroxybutanoate
Manufacturer: A2B Chem
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CatalogNumber
AB42849
ChemicalName
Sodium (R)-3-hydroxybutanoate
CasNumber
13613-65-5
MolecularFormula
C4H7NaO3
MolecularWeight
126.0864
MdlNumber
MFCD00077788
Smiles
[O-]C(=O)C[C@H](O)C.[Na+]
Complexity
73.7
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
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CatalogNumber: AB42849
ChemicalName: Sodium (R)-3-hydroxybutanoate
CasNumber: 13613-65-5
MolecularFormula: C4H7NaO3
MolecularWeight: 126.0864
MdlNumber: MFCD00077788
Smiles: [O-]C(=O)C[C@H](O)C.[Na+]
Complexity: 73.7
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
CatalogNumber:
AB42849
ChemicalName:
Sodium (R)-3-hydroxybutanoate
CasNumber:
13613-65-5
MolecularFormula:
C4H7NaO3
MolecularWeight:
126.0864
MdlNumber:
MFCD00077788
Smiles:
[O-]C(=O)C[C@H](O)C.[Na+]
Complexity:
73.7
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@H]1COCC1
Complexity: 44.8
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@H]1COCC1
Complexity:
44.8
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AB42851
ChemicalName: (3R)-Pyrrolidin-3-ol, HCl
CasNumber: 104706-47-0
MolecularFormula: C4H10ClNO
MolecularWeight: 123.5813
MdlNumber: MFCD00191570
Smiles: O[C@H]1CNCC1.Cl
Complexity: 46.8
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 3
RotatableBondCount: __
CatalogNumber:
AB42851
ChemicalName:
(3R)-Pyrrolidin-3-ol, HCl
CasNumber:
104706-47-0
MolecularFormula:
C4H10ClNO
MolecularWeight:
123.5813
MdlNumber:
MFCD00191570
Smiles:
O[C@H]1CNCC1.Cl
Complexity:
46.8
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
3
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1OC[C@H](N1)c1ccccc1
Complexity: 175
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1OC[C@H](N1)c1ccccc1
Complexity:
175
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__