AB77956
59896-39-8 | 3-Hydroxy-6-methyloctanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB77956
ChemicalName
3-Hydroxy-6-methyloctanoic acid
CasNumber
59896-39-8
MolecularFormula
C9H18O3
MolecularWeight
174.23742
MdlNumber
MFCD24515959
Smiles
CC(CC)CCC(CC(=O)O)O
Complexity
134
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
6
UndefinedAtomStereocenterCount
2
Xlogp3
1.7
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CatalogNumber: AB77956
ChemicalName: 3-Hydroxy-6-methyloctanoic acid
CasNumber: 59896-39-8
MolecularFormula: C9H18O3
MolecularWeight: 174.23742
MdlNumber: MFCD24515959
Smiles: CC(CC)CCC(CC(=O)O)O
Complexity: 134
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 6
UndefinedAtomStereocenterCount: 2
Xlogp3: 1.7
CatalogNumber:
AB77956
ChemicalName:
3-Hydroxy-6-methyloctanoic acid
CasNumber:
59896-39-8
MolecularFormula:
C9H18O3
MolecularWeight:
174.23742
MdlNumber:
MFCD24515959
Smiles:
CC(CC)CCC(CC(=O)O)O
Complexity:
134
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
2
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCC(CCC(=O)OCC)C
Complexity: 132
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 3.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCC(CCC(=O)OCC)C
Complexity:
132
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: c1ccc(cc1)[Si]1(O[Si](O[Si](O[Si](O1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
c1ccc(cc1)[Si]1(O[Si](O[Si](O[Si](O1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__