AB74585
624-09-9 | Heptyl heptanoate
Manufacturer: A2B Chem
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CatalogNumber
AB74585
ChemicalName
Heptyl heptanoate
CasNumber
624-09-9
MolecularFormula
C14H28O2
MolecularWeight
228.3709
MdlNumber
MFCD03701649
Smiles
CCCCCCCOC(=O)CCCCCC
Complexity
155
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
2
RotatableBondCount
12
Xlogp3
5.4
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CatalogNumber: AB74585
ChemicalName: Heptyl heptanoate
CasNumber: 624-09-9
MolecularFormula: C14H28O2
MolecularWeight: 228.3709
MdlNumber: MFCD03701649
Smiles: CCCCCCCOC(=O)CCCCCC
Complexity: 155
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
RotatableBondCount: 12
Xlogp3: 5.4
CatalogNumber:
AB74585
ChemicalName:
Heptyl heptanoate
CasNumber:
624-09-9
MolecularFormula:
C14H28O2
MolecularWeight:
228.3709
MdlNumber:
MFCD03701649
Smiles:
CCCCCCCOC(=O)CCCCCC
Complexity:
155
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
RotatableBondCount:
12
Xlogp3:
5.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCN=C=S
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCN=C=S
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB74587
ChemicalName: N-Heptyl 4-hydroxybenzoate
CasNumber: 1085-12-7
MolecularFormula: C14H20O3
MolecularWeight: 236.3068
MdlNumber: MFCD00016481
Smiles: CCCCCCCOC(=O)c1ccc(cc1)O
Complexity: 208
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 8
Xlogp3: 4.8
CatalogNumber:
AB74587
ChemicalName:
N-Heptyl 4-hydroxybenzoate
CasNumber:
1085-12-7
MolecularFormula:
C14H20O3
MolecularWeight:
236.3068
MdlNumber:
MFCD00016481
Smiles:
CCCCCCCOC(=O)c1ccc(cc1)O
Complexity:
208
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
8
Xlogp3:
4.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCSCCCCCCC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCSCCCCCCC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__