AB75801
5471-82-9 | Methyl 3-methyl-2-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB75801
ChemicalName
Methyl 3-methyl-2-nitrobenzoate
CasNumber
5471-82-9
MolecularFormula
C9H9NO4
MolecularWeight
195.1721
MdlNumber
MFCD01003947
Smiles
COC(=O)c1cccc(c1[N+](=O)[O-])C
NscNumber
28461
Complexity
236
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
2
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CatalogNumber: AB75801
ChemicalName: Methyl 3-methyl-2-nitrobenzoate
CasNumber: 5471-82-9
MolecularFormula: C9H9NO4
MolecularWeight: 195.1721
MdlNumber: MFCD01003947
Smiles: COC(=O)c1cccc(c1[N+](=O)[O-])C
NscNumber: 28461
Complexity: 236
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 2
CatalogNumber:
AB75801
ChemicalName:
Methyl 3-methyl-2-nitrobenzoate
CasNumber:
5471-82-9
MolecularFormula:
C9H9NO4
MolecularWeight:
195.1721
MdlNumber:
MFCD01003947
Smiles:
COC(=O)c1cccc(c1[N+](=O)[O-])C
NscNumber:
28461
Complexity:
236
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C(=O)C(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C(=O)C(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB75803
ChemicalName: Methyl 3-methyl-4-nitrobenzoate
CasNumber: 24078-21-5
MolecularFormula: C9H9NO4
MolecularWeight: 195.17206000000002
MdlNumber: MFCD00085640
Smiles: COC(=O)c1ccc(c(c1)C)[N+](=O)[O-]
NscNumber: 92763
Complexity: 236
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 2.7
CatalogNumber:
AB75803
ChemicalName:
Methyl 3-methyl-4-nitrobenzoate
CasNumber:
24078-21-5
MolecularFormula:
C9H9NO4
MolecularWeight:
195.17206000000002
MdlNumber:
MFCD00085640
Smiles:
COC(=O)c1ccc(c(c1)C)[N+](=O)[O-]
NscNumber:
92763
Complexity:
236
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
2.7
CatalogNumber: AB75804
ChemicalName: Methyl 3-methylaminocrotonate
CasNumber: 13412-12-9
MolecularFormula: C9H15NO4
MolecularWeight: 201.2197
MdlNumber: MFCD00027383
Smiles: COC(=O)C1C(C1(C)C)(NC)C(=O)O
NscNumber: __
Complexity: 129
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 1.3
CatalogNumber:
AB75804
ChemicalName:
Methyl 3-methylaminocrotonate
CasNumber:
13412-12-9
MolecularFormula:
C9H15NO4
MolecularWeight:
201.2197
MdlNumber:
MFCD00027383
Smiles:
COC(=O)C1C(C1(C)C)(NC)C(=O)O
NscNumber:
__
Complexity:
129
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
1.3