AB75796
5081-37-8 | Methyl 3-methoxy-4-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB75796
ChemicalName
Methyl 3-methoxy-4-nitrobenzoate
CasNumber
5081-37-8
MolecularFormula
C9H9NO5
MolecularWeight
211.17146
MdlNumber
MFCD00051967
Smiles
COC(=O)c1ccc(c(c1)OC)[N+](=O)[O-]
NscNumber
147082
Complexity
249
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
RotatableBondCount
3
Xlogp3
1.6
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CatalogNumber: AB75796
ChemicalName: Methyl 3-methoxy-4-nitrobenzoate
CasNumber: 5081-37-8
MolecularFormula: C9H9NO5
MolecularWeight: 211.17146
MdlNumber: MFCD00051967
Smiles: COC(=O)c1ccc(c(c1)OC)[N+](=O)[O-]
NscNumber: 147082
Complexity: 249
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 1.6
CatalogNumber:
AB75796
ChemicalName:
Methyl 3-methoxy-4-nitrobenzoate
CasNumber:
5081-37-8
MolecularFormula:
C9H9NO5
MolecularWeight:
211.17146
MdlNumber:
MFCD00051967
Smiles:
COC(=O)c1ccc(c(c1)OC)[N+](=O)[O-]
NscNumber:
147082
Complexity:
249
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
1.6
CatalogNumber: AB75797
ChemicalName: Methyl 3-methoxybenzoate
CasNumber: 5368-81-0
MolecularFormula: C9H10O3
MolecularWeight: 166.1739
MdlNumber: MFCD00017193
Smiles: COc1cccc(c1)C(=O)OC
NscNumber: 100922
Complexity: 156
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 2.3
CatalogNumber:
AB75797
ChemicalName:
Methyl 3-methoxybenzoate
CasNumber:
5368-81-0
MolecularFormula:
C9H10O3
MolecularWeight:
166.1739
MdlNumber:
MFCD00017193
Smiles:
COc1cccc(c1)C(=O)OC
NscNumber:
100922
Complexity:
156
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
2.3
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Smiles: COCCC(=O)OC
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COCCC(=O)OC
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Smiles: COC(=O)c1sccc1OC
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MolecularFormula:
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MolecularWeight:
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Smiles:
COC(=O)c1sccc1OC
NscNumber:
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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