AA88873
166412-78-8 | Di-isononyl-cyclohexane-1,2-dicarboxylate
Manufacturer: A2B Chem
The price for this product is unavailable. Please request a quote
CatalogNumber
AA88873
ChemicalName
Di-isononyl-cyclohexane-1,2-dicarboxylate
CasNumber
166412-78-8
MolecularFormula
C26H48O4
MolecularWeight
424.6569
MdlNumber
MFCD16038228
Smiles
CC(CCCCCCOC(=O)C1CCCCC1C(=O)OCCCCCCC(C)C)C
Complexity
416
Covalently-bondedUnitCount
1
HeavyAtomCount
30
HydrogenBondAcceptorCount
4
RotatableBondCount
18
UndefinedAtomStereocenterCount
2
Xlogp3
8.9
Compare Similar Items
Show Difference
CatalogNumber: AA88873
ChemicalName: Di-isononyl-cyclohexane-1,2-dicarboxylate
CasNumber: 166412-78-8
MolecularFormula: C26H48O4
MolecularWeight: 424.6569
MdlNumber: MFCD16038228
Smiles: CC(CCCCCCOC(=O)C1CCCCC1C(=O)OCCCCCCC(C)C)C
Complexity: 416
Covalently-bondedUnitCount: 1
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 4
RotatableBondCount: 18
UndefinedAtomStereocenterCount: 2
Xlogp3: 8.9
CatalogNumber:
AA88873
ChemicalName:
Di-isononyl-cyclohexane-1,2-dicarboxylate
CasNumber:
166412-78-8
MolecularFormula:
C26H48O4
MolecularWeight:
424.6569
MdlNumber:
MFCD16038228
Smiles:
CC(CCCCCCOC(=O)C1CCCCC1C(=O)OCCCCCCC(C)C)C
Complexity:
416
Covalently-bondedUnitCount:
1
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
4
RotatableBondCount:
18
UndefinedAtomStereocenterCount:
2
Xlogp3:
8.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCC(C(=O)OC)(C(=O)OC)CCC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCC(C(=O)OC)(C(=O)OC)CCC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(c1ccc(cc1)[Sn](C)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(c1ccc(cc1)[Sn](C)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AA88879
ChemicalName: trans-4-Cyanocinnamic acid
CasNumber: 16642-94-7
MolecularFormula: C10H7NO2
MolecularWeight: 173.16808
MdlNumber: MFCD00016845
Smiles: N#Cc1ccc(cc1)/C=C/C(=O)O
Complexity: 253
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 1.5
CatalogNumber:
AA88879
ChemicalName:
trans-4-Cyanocinnamic acid
CasNumber:
16642-94-7
MolecularFormula:
C10H7NO2
MolecularWeight:
173.16808
MdlNumber:
MFCD00016845
Smiles:
N#Cc1ccc(cc1)/C=C/C(=O)O
Complexity:
253
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.5