AE08269
10576-12-2 | Ethyl acetohydroximate
Manufacturer: A2B Chem
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CatalogNumber
AE08269
ChemicalName
Ethyl acetohydroximate
CasNumber
10576-12-2
MolecularFormula
C4H9NO2
MolecularWeight
103.1198
MdlNumber
MFCD00002114
Smiles
CC(=NO)OCC
Complexity
70.1
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
7
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.7
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CatalogNumber: AE08269
ChemicalName: Ethyl acetohydroximate
CasNumber: 10576-12-2
MolecularFormula: C4H9NO2
MolecularWeight: 103.1198
MdlNumber: MFCD00002114
Smiles: CC(=NO)OCC
Complexity: 70.1
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.7
CatalogNumber:
AE08269
ChemicalName:
Ethyl acetohydroximate
CasNumber:
10576-12-2
MolecularFormula:
C4H9NO2
MolecularWeight:
103.1198
MdlNumber:
MFCD00002114
Smiles:
CC(=NO)OCC
Complexity:
70.1
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.7
CatalogNumber: AE08271
ChemicalName: MES hemisodium salt
CasNumber: 117961-21-4
MolecularFormula: C12H25N2NaO8S2
MolecularWeight: 412.4552699999998
MdlNumber: MFCD00079460
Smiles: [O-]S(=O)(=O)CCN1CCOCC1.OS(=O)(=O)CCN1CCOCC1.[Na+]
Complexity: 434
Covalently-bondedUnitCount: 3
DefinedBondStereocenterCount: __
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: __
CatalogNumber:
AE08271
ChemicalName:
MES hemisodium salt
CasNumber:
117961-21-4
MolecularFormula:
C12H25N2NaO8S2
MolecularWeight:
412.4552699999998
MdlNumber:
MFCD00079460
Smiles:
[O-]S(=O)(=O)CCN1CCOCC1.OS(=O)(=O)CCN1CCOCC1.[Na+]
Complexity:
434
Covalently-bondedUnitCount:
3
DefinedBondStereocenterCount:
__
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCN(CC(CS(=O)(=O)[O-])O)CCO.[Na+]
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCN(CC(CS(=O)(=O)[O-])O)CCO.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cccc(c1)C1CCNCC1
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cccc(c1)C1CCNCC1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__