AH12720
667-84-5 | Dl-pantothenyl ethyl ether
Manufacturer: A2B Chem
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CatalogNumber
AH12720
ChemicalName
Dl-pantothenyl ethyl ether
CasNumber
667-84-5
MolecularFormula
C11H23NO4
MolecularWeight
233.3046
MdlNumber
MFCD03548274
Smiles
CCOCCCNC(=O)C(C(CO)(C)C)O
Complexity
206
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
8
UndefinedAtomStereocenterCount
1
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CatalogNumber: AH12720
ChemicalName: Dl-pantothenyl ethyl ether
CasNumber: 667-84-5
MolecularFormula: C11H23NO4
MolecularWeight: 233.3046
MdlNumber: MFCD03548274
Smiles: CCOCCCNC(=O)C(C(CO)(C)C)O
Complexity: 206
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 8
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AH12720
ChemicalName:
Dl-pantothenyl ethyl ether
CasNumber:
667-84-5
MolecularFormula:
C11H23NO4
MolecularWeight:
233.3046
MdlNumber:
MFCD03548274
Smiles:
CCOCCCNC(=O)C(C(CO)(C)C)O
Complexity:
206
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
8
UndefinedAtomStereocenterCount:
1
CatalogNumber: __
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MolecularFormula: __
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Smiles: O=C1[C@@H](NC(=O)C(=NOC(C(=O)O)(C)C)c2csc(n2)N)[C@@H]2N1C(=C(CS2)C[n+]1ccccc1)C(=O)O.[Cl-].Cl
Complexity: __
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HeavyAtomCount: __
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RotatableBondCount: __
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Smiles:
O=C1[C@@H](NC(=O)C(=NOC(C(=O)O)(C)C)c2csc(n2)N)[C@@H]2N1C(=C(CS2)C[n+]1ccccc1)C(=O)O.[Cl-].Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
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Smiles: CCCCCCCC.CCCCCCCC(CCCCCCCC[ClH2+2])CCCCCCCC[ClH2+2]
Complexity: __
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Smiles:
CCCCCCCC.CCCCCCCC(CCCCCCCC[ClH2+2])CCCCCCCC[ClH2+2]
Complexity:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: CC(=O)O/N=C(c1ccc(cc1F)F)/C1CCNCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CC(=O)O/N=C(c1ccc(cc1F)F)/C1CCNCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__