AB77965
1034-01-1 | Octyl gallate
Manufacturer: A2B Chem
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CatalogNumber
AB77965
ChemicalName
Octyl gallate
CasNumber
1034-01-1
MolecularFormula
C15H22O5
MolecularWeight
282.3322
MdlNumber
MFCD00002197
Smiles
CCCCCCCCOC(=O)c1cc(O)c(c(c1)O)O
NscNumber
97419
Complexity
269
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
9
Xlogp3
3.7
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CatalogNumber: AB77965
ChemicalName: Octyl gallate
CasNumber: 1034-01-1
MolecularFormula: C15H22O5
MolecularWeight: 282.3322
MdlNumber: MFCD00002197
Smiles: CCCCCCCCOC(=O)c1cc(O)c(c(c1)O)O
NscNumber: 97419
Complexity: 269
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 9
Xlogp3: 3.7
CatalogNumber:
AB77965
ChemicalName:
Octyl gallate
CasNumber:
1034-01-1
MolecularFormula:
C15H22O5
MolecularWeight:
282.3322
MdlNumber:
MFCD00002197
Smiles:
CCCCCCCCOC(=O)c1cc(O)c(c(c1)O)O
NscNumber:
97419
Complexity:
269
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
9
Xlogp3:
3.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCN=C=S
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCN=C=S
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCc1ccccc1
NscNumber: __
Complexity: 111
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 6.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CCCCCCCCc1ccccc1
NscNumber:
__
Complexity:
111
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
6.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1=CC=CC=C1C(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1=CC=CC=C1C(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__