AB46941
7384-98-7 | Propylene glycol dicaprylate
Manufacturer: A2B Chem
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CatalogNumber
AB46941
ChemicalName
Propylene glycol dicaprylate
CasNumber
7384-98-7
MolecularFormula
C19H36O4
MolecularWeight
328.4867
MdlNumber
MFCD19705296
Smiles
CCCCCCCC(=O)OCC(OC(=O)CCCCCCC)C
Complexity
302
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
4
RotatableBondCount
17
UndefinedAtomStereocenterCount
1
Xlogp3
6.4
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CatalogNumber: AB46941
ChemicalName: Propylene glycol dicaprylate
CasNumber: 7384-98-7
MolecularFormula: C19H36O4
MolecularWeight: 328.4867
MdlNumber: MFCD19705296
Smiles: CCCCCCCC(=O)OCC(OC(=O)CCCCCCC)C
Complexity: 302
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 4
RotatableBondCount: 17
UndefinedAtomStereocenterCount: 1
Xlogp3: 6.4
CatalogNumber:
AB46941
ChemicalName:
Propylene glycol dicaprylate
CasNumber:
7384-98-7
MolecularFormula:
C19H36O4
MolecularWeight:
328.4867
MdlNumber:
MFCD19705296
Smiles:
CCCCCCCC(=O)OCC(OC(=O)CCCCCCC)C
Complexity:
302
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
4
RotatableBondCount:
17
UndefinedAtomStereocenterCount:
1
Xlogp3:
6.4
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MolecularFormula: __
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Smiles: CCCP(=O)(O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MdlNumber:
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Smiles:
CCCP(=O)(O)O
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
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Xlogp3:
__
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ChemicalName: __
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Smiles: OCCOCC#C
Complexity: 69.4
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: -0.5
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__
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MolecularFormula:
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MolecularWeight:
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Smiles:
OCCOCC#C
Complexity:
69.4
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
-0.5
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Smiles: Cc1ccc(cc1)S(=O)(=O)N
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(cc1)S(=O)(=O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__