AB75911
16507-02-1 | Methyl 4-methyl-4-nitropentanoate
Manufacturer: A2B Chem
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CatalogNumber
AB75911
ChemicalName
Methyl 4-methyl-4-nitropentanoate
CasNumber
16507-02-1
MolecularFormula
C7H13NO4
MolecularWeight
175.18241999999998
MdlNumber
MFCD00047757
Smiles
COC(=O)CCC(N(=O)=O)(C)C
NscNumber
63913
Complexity
182
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
0.8
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CatalogNumber: AB75911
ChemicalName: Methyl 4-methyl-4-nitropentanoate
CasNumber: 16507-02-1
MolecularFormula: C7H13NO4
MolecularWeight: 175.18241999999998
MdlNumber: MFCD00047757
Smiles: COC(=O)CCC(N(=O)=O)(C)C
NscNumber: 63913
Complexity: 182
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 0.8
CatalogNumber:
AB75911
ChemicalName:
Methyl 4-methyl-4-nitropentanoate
CasNumber:
16507-02-1
MolecularFormula:
C7H13NO4
MolecularWeight:
175.18241999999998
MdlNumber:
MFCD00047757
Smiles:
COC(=O)CCC(N(=O)=O)(C)C
NscNumber:
63913
Complexity:
182
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
0.8
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Smiles: COC(=O)Cc1ccc(cc1)C
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Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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Smiles:
COC(=O)Cc1ccc(cc1)C
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Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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__
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Smiles: CCCCOc1ccc(cc1)C(=O)OC
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HydrogenBondAcceptorCount: __
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Smiles:
CCCCOc1ccc(cc1)C(=O)OC
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: COS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__