AE99810
1703-51-1 | Heptane-2,5-dione
Manufacturer: A2B Chem
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CatalogNumber
AE99810
ChemicalName
Heptane-2,5-dione
CasNumber
1703-51-1
MolecularFormula
C7H12O2
MolecularWeight
128.169
MdlNumber
MFCD07437947
Smiles
CCC(=O)CCC(=O)C
Complexity
116
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
2
RotatableBondCount
4
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CatalogNumber: AE99810
ChemicalName: Heptane-2,5-dione
CasNumber: 1703-51-1
MolecularFormula: C7H12O2
MolecularWeight: 128.169
MdlNumber: MFCD07437947
Smiles: CCC(=O)CCC(=O)C
Complexity: 116
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
RotatableBondCount: 4
CatalogNumber:
AE99810
ChemicalName:
Heptane-2,5-dione
CasNumber:
1703-51-1
MolecularFormula:
C7H12O2
MolecularWeight:
128.169
MdlNumber:
MFCD07437947
Smiles:
CCC(=O)CCC(=O)C
Complexity:
116
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
RotatableBondCount:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cn1)NC(=O)OC(C)(C)C
Complexity: 238
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
COc1ccc(cn1)NC(=O)OC(C)(C)C
Complexity:
238
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN1C(=CC=Cc2cc[n+](c3c2cccc3)CCC[N+](CCC[N+](CCC[n+]2ccc(c3c2cccc3)/C=C/C=C2/Oc3c(N2C)cccc3)(C)C)(C)C)Oc2c1cccc2.[I-].[I-].[I-].[I-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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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:
CN1C(=CC=Cc2cc[n+](c3c2cccc3)CCC[N+](CCC[N+](CCC[n+]2ccc(c3c2cccc3)/C=C/C=C2/Oc3c(N2C)cccc3)(C)C)(C)C)Oc2c1cccc2.[I-].[I-].[I-].[I-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCCCCN1C(=O)c2cc(cc3c2c(C1=O)cc(c3N)S(=O)(=O)O[K])S(=O)(=O)O[K]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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:
__
Smiles:
NCCCCCN1C(=O)c2cc(cc3c2c(C1=O)cc(c3N)S(=O)(=O)O[K])S(=O)(=O)O[K]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__