AG87930
626-31-3 | Di-sec-butyl succinate
Manufacturer: A2B Chem
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CatalogNumber
AG87930
ChemicalName
Di-sec-butyl succinate
CasNumber
626-31-3
MolecularFormula
C12H22O4
MolecularWeight
230.3007
MdlNumber
MFCD28972105
Smiles
CCC(OC(=O)CCC(=O)OC(CC)C)C
Complexity
201
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
RotatableBondCount
9
UndefinedAtomStereocenterCount
2
Xlogp3
2.5
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CatalogNumber: AG87930
ChemicalName: Di-sec-butyl succinate
CasNumber: 626-31-3
MolecularFormula: C12H22O4
MolecularWeight: 230.3007
MdlNumber: MFCD28972105
Smiles: CCC(OC(=O)CCC(=O)OC(CC)C)C
Complexity: 201
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
RotatableBondCount: 9
UndefinedAtomStereocenterCount: 2
Xlogp3: 2.5
CatalogNumber:
AG87930
ChemicalName:
Di-sec-butyl succinate
CasNumber:
626-31-3
MolecularFormula:
C12H22O4
MolecularWeight:
230.3007
MdlNumber:
MFCD28972105
Smiles:
CCC(OC(=O)CCC(=O)OC(CC)C)C
Complexity:
201
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
RotatableBondCount:
9
UndefinedAtomStereocenterCount:
2
Xlogp3:
2.5
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Smiles: O=C(Nc1nc2c(s1)C(=O)CC(C2)(C)C)CCCOc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
O=C(Nc1nc2c(s1)C(=O)CC(C2)(C)C)CCCOc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
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Smiles: CCSCCC(=O)C
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Smiles:
CCSCCC(=O)C
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: CC(CC(=O)NC(=S)Nc1ccc2c(c1)nc(o2)c1c(F)c(F)c(c(c1F)F)F)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(CC(=O)NC(=S)Nc1ccc2c(c1)nc(o2)c1c(F)c(F)c(c(c1F)F)F)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__