AB57041
94491-96-0 | Ethyl isobutyl phthalate
Manufacturer: A2B Chem
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CatalogNumber
AB57041
ChemicalName
Ethyl isobutyl phthalate
CasNumber
94491-96-0
MolecularFormula
C14H18O4
MolecularWeight
250.2903
MdlNumber
MFCD28053434
Smiles
CCOC(=O)c1ccccc1C(=O)OCC(C)C
Complexity
286
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
RotatableBondCount
7
Xlogp3
3.1
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CatalogNumber: AB57041
ChemicalName: Ethyl isobutyl phthalate
CasNumber: 94491-96-0
MolecularFormula: C14H18O4
MolecularWeight: 250.2903
MdlNumber: MFCD28053434
Smiles: CCOC(=O)c1ccccc1C(=O)OCC(C)C
Complexity: 286
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 7
Xlogp3: 3.1
CatalogNumber:
AB57041
ChemicalName:
Ethyl isobutyl phthalate
CasNumber:
94491-96-0
MolecularFormula:
C14H18O4
MolecularWeight:
250.2903
MdlNumber:
MFCD28053434
Smiles:
CCOC(=O)c1ccccc1C(=O)OCC(C)C
Complexity:
286
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
7
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1ccccc1C(=O)O
Complexity: 320
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 6.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1ccccc1C(=O)O
Complexity:
320
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
6.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CSc1ccccc1SC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CSc1ccccc1SC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: c1ccc2c(c1)onc2
Complexity: 105
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
c1ccc2c(c1)onc2
Complexity:
105
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.6