AG33021
482311-23-9 | Methyl 3-methyl-5-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AG33021
ChemicalName
Methyl 3-methyl-5-nitrobenzoate
CasNumber
482311-23-9
MolecularFormula
C9H9NO4
MolecularWeight
195.1721
MdlNumber
MFCD12172988
Smiles
COC(=O)c1cc(C)cc(c1)[N+](=O)[O-]
Complexity
236
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
2.4
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CatalogNumber: AG33021
ChemicalName: Methyl 3-methyl-5-nitrobenzoate
CasNumber: 482311-23-9
MolecularFormula: C9H9NO4
MolecularWeight: 195.1721
MdlNumber: MFCD12172988
Smiles: COC(=O)c1cc(C)cc(c1)[N+](=O)[O-]
Complexity: 236
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AG33021
ChemicalName:
Methyl 3-methyl-5-nitrobenzoate
CasNumber:
482311-23-9
MolecularFormula:
C9H9NO4
MolecularWeight:
195.1721
MdlNumber:
MFCD12172988
Smiles:
COC(=O)c1cc(C)cc(c1)[N+](=O)[O-]
Complexity:
236
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
2.4
CatalogNumber: AG33022
ChemicalName: N-Cyclohexyl L-Valinamide
CasNumber: 46339-96-2
MolecularFormula: C11H22N2O
MolecularWeight: 198.3052
MdlNumber: MFCD15144647
Smiles: N[C@H](C(=O)NC1CCCCC1)C(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AG33022
ChemicalName:
N-Cyclohexyl L-Valinamide
CasNumber:
46339-96-2
MolecularFormula:
C11H22N2O
MolecularWeight:
198.3052
MdlNumber:
MFCD15144647
Smiles:
N[C@H](C(=O)NC1CCCCC1)C(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCN(C(=O)c1ccc(cc1)N)CC
Complexity: 182
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCN(C(=O)c1ccc(cc1)N)CC
Complexity:
182
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.6
CatalogNumber: AG33024
ChemicalName: 3-(2-Oxo-1,3-thiazolidin-3-yl)propanoic acid
CasNumber: 500541-40-2
MolecularFormula: C6H9NO3S
MolecularWeight: 175.2056
MdlNumber: MFCD07686042
Smiles: OC(=O)CCN1CCSC1=O
Complexity: 183
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: -0.1
CatalogNumber:
AG33024
ChemicalName:
3-(2-Oxo-1,3-thiazolidin-3-yl)propanoic acid
CasNumber:
500541-40-2
MolecularFormula:
C6H9NO3S
MolecularWeight:
175.2056
MdlNumber:
MFCD07686042
Smiles:
OC(=O)CCN1CCSC1=O
Complexity:
183
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
-0.1