AG17120
5437-67-2 | Dimethyl nitromalonate
Manufacturer: A2B Chem
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CatalogNumber
AG17120
ChemicalName
Dimethyl nitromalonate
CasNumber
5437-67-2
MolecularFormula
C5H7NO6
MolecularWeight
177.1122
MdlNumber
MFCD00010228
Smiles
COC(=O)C(C(=O)OC)[N+](=O)[O-]
NscNumber
16174
Complexity
191
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
6
RotatableBondCount
4
Xlogp3
0.2
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CatalogNumber: AG17120
ChemicalName: Dimethyl nitromalonate
CasNumber: 5437-67-2
MolecularFormula: C5H7NO6
MolecularWeight: 177.1122
MdlNumber: MFCD00010228
Smiles: COC(=O)C(C(=O)OC)[N+](=O)[O-]
NscNumber: 16174
Complexity: 191
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 6
RotatableBondCount: 4
Xlogp3: 0.2
CatalogNumber:
AG17120
ChemicalName:
Dimethyl nitromalonate
CasNumber:
5437-67-2
MolecularFormula:
C5H7NO6
MolecularWeight:
177.1122
MdlNumber:
MFCD00010228
Smiles:
COC(=O)C(C(=O)OC)[N+](=O)[O-]
NscNumber:
16174
Complexity:
191
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
6
RotatableBondCount:
4
Xlogp3:
0.2
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Smiles: CC1=CC(=C(C(=C1C)O)C)C
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Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CC1=CC(=C(C(=C1C)O)C)C
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CCCCCCCCCC=CC(=O)O
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Smiles:
CCCCCCCCCC=CC(=O)O
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: CCCCCCCCCCOC(=O)CCC
NscNumber: __
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCCCOC(=O)CCC
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__