AB06588
20587-30-8 | Methyl 5-methyl-2-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB06588
ChemicalName
Methyl 5-methyl-2-nitrobenzoate
CasNumber
20587-30-8
MolecularFormula
C9H9NO4
MolecularWeight
195.17206000000002
MdlNumber
MFCD00157275
Smiles
COC(=O)c1cc(C)ccc1[N+](=O)[O-]
Complexity
236
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
2
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CatalogNumber: AB06588
ChemicalName: Methyl 5-methyl-2-nitrobenzoate
CasNumber: 20587-30-8
MolecularFormula: C9H9NO4
MolecularWeight: 195.17206000000002
MdlNumber: MFCD00157275
Smiles: COC(=O)c1cc(C)ccc1[N+](=O)[O-]
Complexity: 236
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 2
CatalogNumber:
AB06588
ChemicalName:
Methyl 5-methyl-2-nitrobenzoate
CasNumber:
20587-30-8
MolecularFormula:
C9H9NO4
MolecularWeight:
195.17206000000002
MdlNumber:
MFCD00157275
Smiles:
COC(=O)c1cc(C)ccc1[N+](=O)[O-]
Complexity:
236
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
2
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Smiles: NNC(=O)c1cccc(c1)N(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
NNC(=O)c1cccc(c1)N(C)C
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CC(=O)Cc1cccc(c1)C(=O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
CC(=O)Cc1cccc(c1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
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Smiles: CC1=CC(=C(C(=C1C)C2=C(C(=CC(=C2O)C(C)(C)C)C)C)O)C(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CC1=CC(=C(C(=C1C)C2=C(C(=CC(=C2O)C(C)(C)C)C)C)O)C(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__