AB55831
2174-58-5 | (S)-(-)-Methylsuccinic acid
Manufacturer: A2B Chem
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CatalogNumber
AB55831
ChemicalName
(S)-(-)-Methylsuccinic acid
CasNumber
2174-58-5
MolecularFormula
C5H8O4
MolecularWeight
132.1146
MdlNumber
MFCD00192321
Smiles
OC(=O)C[C@@H](C(=O)O)C
Complexity
129
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
-0.2
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CatalogNumber: AB55831
ChemicalName: (S)-(-)-Methylsuccinic acid
CasNumber: 2174-58-5
MolecularFormula: C5H8O4
MolecularWeight: 132.1146
MdlNumber: MFCD00192321
Smiles: OC(=O)C[C@@H](C(=O)O)C
Complexity: 129
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: -0.2
CatalogNumber:
AB55831
ChemicalName:
(S)-(-)-Methylsuccinic acid
CasNumber:
2174-58-5
MolecularFormula:
C5H8O4
MolecularWeight:
132.1146
MdlNumber:
MFCD00192321
Smiles:
OC(=O)C[C@@H](C(=O)O)C
Complexity:
129
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
-0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C[C@@H](C(=O)OC)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C[C@@H](C(=O)OC)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[C@@H](c1ccccc1)NC(=O)c1ccccc1C(=O)O
Complexity: 350
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[C@@H](c1ccccc1)NC(=O)c1ccccc1C(=O)O
Complexity:
350
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC(N[C@H](c1ccccc1)C)CC.Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC(N[C@H](c1ccccc1)C)CC.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__