AI49541
38584-59-7 | Methyl 3-[(2-nitrophenyl)amino]propanoate
Manufacturer: A2B Chem
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CatalogNumber
AI49541
ChemicalName
Methyl 3-[(2-nitrophenyl)amino]propanoate
CasNumber
38584-59-7
MolecularFormula
C10H12N2O4
MolecularWeight
224.2133
MdlNumber
MFCD12783543
Smiles
COC(=O)CCNc1ccccc1[N+](=O)[O-]
Complexity
252
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
2
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CatalogNumber: AI49541
ChemicalName: Methyl 3-[(2-nitrophenyl)amino]propanoate
CasNumber: 38584-59-7
MolecularFormula: C10H12N2O4
MolecularWeight: 224.2133
MdlNumber: MFCD12783543
Smiles: COC(=O)CCNc1ccccc1[N+](=O)[O-]
Complexity: 252
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 2
CatalogNumber:
AI49541
ChemicalName:
Methyl 3-[(2-nitrophenyl)amino]propanoate
CasNumber:
38584-59-7
MolecularFormula:
C10H12N2O4
MolecularWeight:
224.2133
MdlNumber:
MFCD12783543
Smiles:
COC(=O)CCNc1ccccc1[N+](=O)[O-]
Complexity:
252
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClCc1c[nH]cn1.Cl
Complexity: 57.7
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClCc1c[nH]cn1.Cl
Complexity:
57.7
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI49543
ChemicalName: 3,5-Bis(methoxycarbonyl)benzoic acid
CasNumber: 38588-64-6
MolecularFormula: C11H10O6
MolecularWeight: 238.1935
MdlNumber: MFCD06797584
Smiles: COC(=O)c1cc(cc(c1)C(=O)OC)C(=O)O
Complexity: 300
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 1.2
CatalogNumber:
AI49543
ChemicalName:
3,5-Bis(methoxycarbonyl)benzoic acid
CasNumber:
38588-64-6
MolecularFormula:
C11H10O6
MolecularWeight:
238.1935
MdlNumber:
MFCD06797584
Smiles:
COC(=O)c1cc(cc(c1)C(=O)OC)C(=O)O
Complexity:
300
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1CCC(CC1)NC1CCCCC1.OC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1CCC(CC1)NC1CCCCC1.OC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__