AF33732
24347-63-5 | (S)-Methyl 2-hydroxy-3-methylbutanoate
Manufacturer: A2B Chem
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CatalogNumber
AF33732
ChemicalName
(S)-Methyl 2-hydroxy-3-methylbutanoate
CasNumber
24347-63-5
MolecularFormula
C6H12O3
MolecularWeight
132.1577
MdlNumber
MFCD09264168
Smiles
COC(=O)[C@H](C(C)C)O
Complexity
98.5
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.8
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CatalogNumber: AF33732
ChemicalName: (S)-Methyl 2-hydroxy-3-methylbutanoate
CasNumber: 24347-63-5
MolecularFormula: C6H12O3
MolecularWeight: 132.1577
MdlNumber: MFCD09264168
Smiles: COC(=O)[C@H](C(C)C)O
Complexity: 98.5
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.8
CatalogNumber:
AF33732
ChemicalName:
(S)-Methyl 2-hydroxy-3-methylbutanoate
CasNumber:
24347-63-5
MolecularFormula:
C6H12O3
MolecularWeight:
132.1577
MdlNumber:
MFCD09264168
Smiles:
COC(=O)[C@H](C(C)C)O
Complexity:
98.5
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.8
CatalogNumber: __
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MolecularFormula: __
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Smiles: OCCCOC1CCN(CC1)C(=O)OC(C)(C)C
Complexity: __
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Smiles:
OCCCOC1CCN(CC1)C(=O)OC(C)(C)C
Complexity:
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HeavyAtomCount:
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RotatableBondCount:
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Smiles: O=C(C(C)(C)C)NNCc1ccccc1
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Smiles:
O=C(C(C)(C)C)NNCc1ccccc1
Complexity:
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DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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Smiles: Cc1nnc2c(-c3nonc3CC2)c1
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
Cc1nnc2c(-c3nonc3CC2)c1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__