AI44722
205827-21-0 | Ethyl 2-(4-(nitromethyl)tetrahydro-2h-pyran-4-yl)acetate
Manufacturer: A2B Chem
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CatalogNumber
AI44722
ChemicalName
Ethyl 2-(4-(nitromethyl)tetrahydro-2h-pyran-4-yl)acetate
CasNumber
205827-21-0
MolecularFormula
C10H17NO5
MolecularWeight
231.2457
MdlNumber
MFCD29917052
Smiles
CCOC(=O)CC1(CCOCC1)C[N+](=O)[O-]
Complexity
254
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
RotatableBondCount
5
Xlogp3
0.7
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CatalogNumber: AI44722
ChemicalName: Ethyl 2-(4-(nitromethyl)tetrahydro-2h-pyran-4-yl)acetate
CasNumber: 205827-21-0
MolecularFormula: C10H17NO5
MolecularWeight: 231.2457
MdlNumber: MFCD29917052
Smiles: CCOC(=O)CC1(CCOCC1)C[N+](=O)[O-]
Complexity: 254
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
RotatableBondCount: 5
Xlogp3: 0.7
CatalogNumber:
AI44722
ChemicalName:
Ethyl 2-(4-(nitromethyl)tetrahydro-2h-pyran-4-yl)acetate
CasNumber:
205827-21-0
MolecularFormula:
C10H17NO5
MolecularWeight:
231.2457
MdlNumber:
MFCD29917052
Smiles:
CCOC(=O)CC1(CCOCC1)C[N+](=O)[O-]
Complexity:
254
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
RotatableBondCount:
5
Xlogp3:
0.7
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Smiles: Clc1ccc(c(c1)Cl)c1ccccc1C(=O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Clc1ccc(c(c1)Cl)c1ccccc1C(=O)O
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: O=C(C(Cl)C)Nc1ccccc1Br
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(C(Cl)C)Nc1ccccc1Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(C(Cl)C)Nc1ccccc1[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(C(Cl)C)Nc1ccccc1[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__