AB62305
4026-18-0 | 2-Hydroxy-3-methylbutyric acid
Manufacturer: A2B Chem
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CatalogNumber
AB62305
ChemicalName
2-Hydroxy-3-methylbutyric acid
CasNumber
4026-18-0
MolecularFormula
C5H10O3
MolecularWeight
118.1311
MdlNumber
MFCD00004242
Smiles
OC(C(=O)O)C(C)C
NscNumber
227884
Complexity
87.7
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
0.5
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CatalogNumber: AB62305
ChemicalName: 2-Hydroxy-3-methylbutyric acid
CasNumber: 4026-18-0
MolecularFormula: C5H10O3
MolecularWeight: 118.1311
MdlNumber: MFCD00004242
Smiles: OC(C(=O)O)C(C)C
NscNumber: 227884
Complexity: 87.7
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.5
CatalogNumber:
AB62305
ChemicalName:
2-Hydroxy-3-methylbutyric acid
CasNumber:
4026-18-0
MolecularFormula:
C5H10O3
MolecularWeight:
118.1311
MdlNumber:
MFCD00004242
Smiles:
OC(C(=O)O)C(C)C
NscNumber:
227884
Complexity:
87.7
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.5
CatalogNumber: AB62306
ChemicalName: 2-Hydroxy-3-methylnaphthalene
CasNumber: 17324-04-8
MolecularFormula: C11H10O
MolecularWeight: 158.1965
MdlNumber: MFCD09037754
Smiles: Cc1cc2ccccc2cc1O
NscNumber: __
Complexity: 155
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 3.2
CatalogNumber:
AB62306
ChemicalName:
2-Hydroxy-3-methylnaphthalene
CasNumber:
17324-04-8
MolecularFormula:
C11H10O
MolecularWeight:
158.1965
MdlNumber:
MFCD09037754
Smiles:
Cc1cc2ccccc2cc1O
NscNumber:
__
Complexity:
155
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=CC(=O)OCC(COc1ccccc1)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=CC(=O)OCC(COc1ccccc1)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1ncccc1C(F)(F)F
NscNumber: __
Complexity: 239
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1ncccc1C(F)(F)F
NscNumber:
__
Complexity:
239
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.1