AB57585
54322-10-0 | 1,5-Pentanedioic acid monobenzyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB57585
ChemicalName
1,5-Pentanedioic acid monobenzyl ester
CasNumber
54322-10-0
MolecularFormula
C12H14O4
MolecularWeight
222.2372
MdlNumber
MFCD00447718
Smiles
OC(=O)CCCC(=O)OCc1ccccc1
Complexity
231
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
7
Xlogp3
1.8
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CatalogNumber: AB57585
ChemicalName: 1,5-Pentanedioic acid monobenzyl ester
CasNumber: 54322-10-0
MolecularFormula: C12H14O4
MolecularWeight: 222.2372
MdlNumber: MFCD00447718
Smiles: OC(=O)CCCC(=O)OCc1ccccc1
Complexity: 231
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 7
Xlogp3: 1.8
CatalogNumber:
AB57585
ChemicalName:
1,5-Pentanedioic acid monobenzyl ester
CasNumber:
54322-10-0
MolecularFormula:
C12H14O4
MolecularWeight:
222.2372
MdlNumber:
MFCD00447718
Smiles:
OC(=O)CCCC(=O)OCc1ccccc1
Complexity:
231
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
7
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCCCCO
Complexity: 25.3
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCCCCO
Complexity:
25.3
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: SCCCCCS
Complexity: 25.3
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
SCCCCCS
Complexity:
25.3
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1CCNc2ccc(cc2)Cc2ccc(cc2)NCCCCNc2ccc(Cc3ccc(NC1)cc3)cc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1CCNc2ccc(cc2)Cc2ccc(cc2)NCCCCNc2ccc(Cc3ccc(NC1)cc3)cc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__