AA79605
87-92-3 | L-(+)-Tartaric acid di-n-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AA79605
ChemicalName
L-(+)-Tartaric acid di-n-butyl ester
CasNumber
87-92-3
MolecularFormula
C12H22O6
MolecularWeight
262.2995
MdlNumber
MFCD00009443
Smiles
CCCCOC(=O)[C@@H]([C@H](C(=O)OCCCC)O)O
Complexity
227
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
18
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
11
Xlogp3
1.5
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CatalogNumber: AA79605
ChemicalName: L-(+)-Tartaric acid di-n-butyl ester
CasNumber: 87-92-3
MolecularFormula: C12H22O6
MolecularWeight: 262.2995
MdlNumber: MFCD00009443
Smiles: CCCCOC(=O)[C@@H]([C@H](C(=O)OCCCC)O)O
Complexity: 227
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 11
Xlogp3: 1.5
CatalogNumber:
AA79605
ChemicalName:
L-(+)-Tartaric acid di-n-butyl ester
CasNumber:
87-92-3
MolecularFormula:
C12H22O6
MolecularWeight:
262.2995
MdlNumber:
MFCD00009443
Smiles:
CCCCOC(=O)[C@@H]([C@H](C(=O)OCCCC)O)O
Complexity:
227
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
11
Xlogp3:
1.5
CatalogNumber: __
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MolecularFormula: __
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Smiles: [Cu].[Ru].[Ru].[Ru]
Complexity: __
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HydrogenBondAcceptorCount: __
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Smiles:
[Cu].[Ru].[Ru].[Ru]
Complexity:
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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Smiles: COC(=O)c1cc2c([nH]1)ccc(c2)[N+](=O)[O-]
Complexity: __
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Smiles:
COC(=O)c1cc2c([nH]1)ccc(c2)[N+](=O)[O-]
Complexity:
__
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
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__
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Smiles: N#Cc1c(ccc(c1F)F)[N+](=O)[O-]
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
N#Cc1c(ccc(c1F)F)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__