AB46434
80657-57-4 | (S)-Methyl 3-hydroxy-2-methylpropanoate
Manufacturer: A2B Chem
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CatalogNumber
AB46434
ChemicalName
(S)-Methyl 3-hydroxy-2-methylpropanoate
CasNumber
80657-57-4
MolecularFormula
C5H10O3
MolecularWeight
118.1311
MdlNumber
MFCD00064520
Smiles
C[C@H](C(=O)OC)CO
Complexity
79.7
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
-0.1
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CatalogNumber: AB46434
ChemicalName: (S)-Methyl 3-hydroxy-2-methylpropanoate
CasNumber: 80657-57-4
MolecularFormula: C5H10O3
MolecularWeight: 118.1311
MdlNumber: MFCD00064520
Smiles: C[C@H](C(=O)OC)CO
Complexity: 79.7
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: -0.1
CatalogNumber:
AB46434
ChemicalName:
(S)-Methyl 3-hydroxy-2-methylpropanoate
CasNumber:
80657-57-4
MolecularFormula:
C5H10O3
MolecularWeight:
118.1311
MdlNumber:
MFCD00064520
Smiles:
C[C@H](C(=O)OC)CO
Complexity:
79.7
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
-0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C1CNCc2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C1CNCc2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB46436
ChemicalName: Methyl 1,2,3-triazole-4-carboxylate
CasNumber: 4967-77-5
MolecularFormula: C4H5N3O2
MolecularWeight: 127.1014
MdlNumber: MFCD12912989
Smiles: COC(=O)c1c[nH]nn1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB46436
ChemicalName:
Methyl 1,2,3-triazole-4-carboxylate
CasNumber:
4967-77-5
MolecularFormula:
C4H5N3O2
MolecularWeight:
127.1014
MdlNumber:
MFCD12912989
Smiles:
COC(=O)c1c[nH]nn1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB46437
ChemicalName: Methyl 1,2-dihydro-1-methyl-2-oxopyridine-5-carboxylate
CasNumber: 6375-89-9
MolecularFormula: C8H9NO3
MolecularWeight: 167.162
MdlNumber: MFCD00031001
Smiles: COC(=O)c1ccc(=O)n(c1)C
Complexity: 278
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AB46437
ChemicalName:
Methyl 1,2-dihydro-1-methyl-2-oxopyridine-5-carboxylate
CasNumber:
6375-89-9
MolecularFormula:
C8H9NO3
MolecularWeight:
167.162
MdlNumber:
MFCD00031001
Smiles:
COC(=O)c1ccc(=O)n(c1)C
Complexity:
278
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
__