AB47469
6221-93-8 | Dodecyl propanoate
Manufacturer: A2B Chem
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CatalogNumber
AB47469
ChemicalName
Dodecyl propanoate
CasNumber
6221-93-8
MolecularFormula
C15H30O2
MolecularWeight
242.3975
MdlNumber
MFCD16877157
Smiles
CCCCCCCCCCCCOC(=O)CC
NscNumber
57275
Complexity
166
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
2
RotatableBondCount
13
Xlogp3
6
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CatalogNumber: AB47469
ChemicalName: Dodecyl propanoate
CasNumber: 6221-93-8
MolecularFormula: C15H30O2
MolecularWeight: 242.3975
MdlNumber: MFCD16877157
Smiles: CCCCCCCCCCCCOC(=O)CC
NscNumber: 57275
Complexity: 166
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
RotatableBondCount: 13
Xlogp3: 6
CatalogNumber:
AB47469
ChemicalName:
Dodecyl propanoate
CasNumber:
6221-93-8
MolecularFormula:
C15H30O2
MolecularWeight:
242.3975
MdlNumber:
MFCD16877157
Smiles:
CCCCCCCCCCCCOC(=O)CC
NscNumber:
57275
Complexity:
166
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
RotatableBondCount:
13
Xlogp3:
6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C1CCO1
NscNumber: __
Complexity: 88.9
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: -0.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C1CCO1
NscNumber:
__
Complexity:
88.9
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.2
CatalogNumber: AB47471
ChemicalName: Ethyl 1-methyl-3-oxo-2,3-dihydro-1h-pyrazole-4-carboxylate
CasNumber: 103626-03-5
MolecularFormula: C7H10N2O3
MolecularWeight: 170.1659
MdlNumber: MFCD16620091
Smiles: CCOC(=O)c1cn([nH]c1=O)C
NscNumber: __
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 0.3
CatalogNumber:
AB47471
ChemicalName:
Ethyl 1-methyl-3-oxo-2,3-dihydro-1h-pyrazole-4-carboxylate
CasNumber:
103626-03-5
MolecularFormula:
C7H10N2O3
MolecularWeight:
170.1659
MdlNumber:
MFCD16620091
Smiles:
CCOC(=O)c1cn([nH]c1=O)C
NscNumber:
__
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1[nH]cc(c1)C
NscNumber: __
Complexity: 61.2
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1[nH]cc(c1)C
NscNumber:
__
Complexity:
61.2
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.5