AB54057
106-14-9 | 12-Hydroxyoctadecanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB54057
ChemicalName
12-Hydroxyoctadecanoic acid
CasNumber
106-14-9
MolecularFormula
C18H36O3
MolecularWeight
300.4766
MdlNumber
MFCD00004592
Smiles
CCCCCCC(CCCCCCCCCCC(=O)O)O
NscNumber
2385
Complexity
229
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
16
UndefinedAtomStereocenterCount
1
Xlogp3
6.5
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CatalogNumber: AB54057
ChemicalName: 12-Hydroxyoctadecanoic acid
CasNumber: 106-14-9
MolecularFormula: C18H36O3
MolecularWeight: 300.4766
MdlNumber: MFCD00004592
Smiles: CCCCCCC(CCCCCCCCCCC(=O)O)O
NscNumber: 2385
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 16
UndefinedAtomStereocenterCount: 1
Xlogp3: 6.5
CatalogNumber:
AB54057
ChemicalName:
12-Hydroxyoctadecanoic acid
CasNumber:
106-14-9
MolecularFormula:
C18H36O3
MolecularWeight:
300.4766
MdlNumber:
MFCD00004592
Smiles:
CCCCCCC(CCCCCCCCCCC(=O)O)O
NscNumber:
2385
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
16
UndefinedAtomStereocenterCount:
1
Xlogp3:
6.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC12CC3CC(C2)CC(C1)C3.OS(=O)(=O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC12CC3CC(C2)CC(C1)C3.OS(=O)(=O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=CCn1cncc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=CCn1cncc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB54060
ChemicalName: 1-Amino-4-methylpiperazine
CasNumber: 6928-85-4
MolecularFormula: C5H13N3
MolecularWeight: 115.1768
MdlNumber: MFCD00006154
Smiles: CN1CCN(CC1)N
NscNumber: 80649
Complexity: 66.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: -1.1
CatalogNumber:
AB54060
ChemicalName:
1-Amino-4-methylpiperazine
CasNumber:
6928-85-4
MolecularFormula:
C5H13N3
MolecularWeight:
115.1768
MdlNumber:
MFCD00006154
Smiles:
CN1CCN(CC1)N
NscNumber:
80649
Complexity:
66.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
-1.1