AB48100
843666-40-0 | Octadecanedioic acid mono-tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB48100
ChemicalName
Octadecanedioic acid mono-tert-butyl ester
CasNumber
843666-40-0
MolecularFormula
C22H42O4
MolecularWeight
370.5665
MdlNumber
MFCD09991735
Smiles
OC(=O)CCCCCCCCCCCCCCCCC(=O)OC(C)(C)C
Complexity
358
Covalently-bondedUnitCount
1
HeavyAtomCount
26
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
19
Xlogp3
7.7
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CatalogNumber: AB48100
ChemicalName: Octadecanedioic acid mono-tert-butyl ester
CasNumber: 843666-40-0
MolecularFormula: C22H42O4
MolecularWeight: 370.5665
MdlNumber: MFCD09991735
Smiles: OC(=O)CCCCCCCCCCCCCCCCC(=O)OC(C)(C)C
Complexity: 358
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 19
Xlogp3: 7.7
CatalogNumber:
AB48100
ChemicalName:
Octadecanedioic acid mono-tert-butyl ester
CasNumber:
843666-40-0
MolecularFormula:
C22H42O4
MolecularWeight:
370.5665
MdlNumber:
MFCD09991735
Smiles:
OC(=O)CCCCCCCCCCCCCCCCC(=O)OC(C)(C)C
Complexity:
358
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
19
Xlogp3:
7.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)Cc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity: 341
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)Cc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity:
341
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1ccc2c(c1)[nH]c(c2)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1ccc2c(c1)[nH]c(c2)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB48103
ChemicalName: Butyl octyl phthalate
CasNumber: 84-78-6
MolecularFormula: C20H30O4
MolecularWeight: 334.4498
MdlNumber: MFCD00072261
Smiles: CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCC
Complexity: 354
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 14
Xlogp3: 6.9
CatalogNumber:
AB48103
ChemicalName:
Butyl octyl phthalate
CasNumber:
84-78-6
MolecularFormula:
C20H30O4
MolecularWeight:
334.4498
MdlNumber:
MFCD00072261
Smiles:
CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCC
Complexity:
354
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
14
Xlogp3:
6.9