AB51941
625-08-1 | Beta-hydroxyisovaleric acid
Manufacturer: A2B Chem
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CatalogNumber
AB51941
ChemicalName
Beta-hydroxyisovaleric acid
CasNumber
625-08-1
MolecularFormula
C5H10O3
MolecularWeight
118.1311
MdlNumber
MFCD00059081
Smiles
OC(=O)CC(O)(C)C
Complexity
95.8
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
-0.3
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CatalogNumber: AB51941
ChemicalName: Beta-hydroxyisovaleric acid
CasNumber: 625-08-1
MolecularFormula: C5H10O3
MolecularWeight: 118.1311
MdlNumber: MFCD00059081
Smiles: OC(=O)CC(O)(C)C
Complexity: 95.8
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: -0.3
CatalogNumber:
AB51941
ChemicalName:
Beta-hydroxyisovaleric acid
CasNumber:
625-08-1
MolecularFormula:
C5H10O3
MolecularWeight:
118.1311
MdlNumber:
MFCD00059081
Smiles:
OC(=O)CC(O)(C)C
Complexity:
95.8
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
-0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CS(=O)(=O)On1nnc2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CS(=O)(=O)On1nnc2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB51943
ChemicalName: 4-(Hydroxymethyl)-2,6-dimethylphenol
CasNumber: 4397-14-2
MolecularFormula: C9H12O2
MolecularWeight: 152.1904
MdlNumber: MFCD02912490
Smiles: OCc1cc(C)c(c(c1)C)O
Complexity: 113
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.4
CatalogNumber:
AB51943
ChemicalName:
4-(Hydroxymethyl)-2,6-dimethylphenol
CasNumber:
4397-14-2
MolecularFormula:
C9H12O2
MolecularWeight:
152.1904
MdlNumber:
MFCD02912490
Smiles:
OCc1cc(C)c(c(c1)C)O
Complexity:
113
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC1CC(=O)C1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC1CC(=O)C1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__