AB75915
619-50-1 | Methyl 4-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB75915
ChemicalName
Methyl 4-nitrobenzoate
CasNumber
619-50-1
MolecularFormula
C8H7NO4
MolecularWeight
181.14548000000002
MdlNumber
MFCD00007350
Smiles
COC(=O)c1ccc(cc1)N(=O)=O
NscNumber
4137
Complexity
203
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
1.9
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CatalogNumber: AB75915
ChemicalName: Methyl 4-nitrobenzoate
CasNumber: 619-50-1
MolecularFormula: C8H7NO4
MolecularWeight: 181.14548000000002
MdlNumber: MFCD00007350
Smiles: COC(=O)c1ccc(cc1)N(=O)=O
NscNumber: 4137
Complexity: 203
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 1.9
CatalogNumber:
AB75915
ChemicalName:
Methyl 4-nitrobenzoate
CasNumber:
619-50-1
MolecularFormula:
C8H7NO4
MolecularWeight:
181.14548000000002
MdlNumber:
MFCD00007350
Smiles:
COC(=O)c1ccc(cc1)N(=O)=O
NscNumber:
4137
Complexity:
203
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCOc1ccc(cc1)C(=O)OC
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCOc1ccc(cc1)C(=O)OC
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB75917
ChemicalName: Methyl 4-oxo-3-piperidinecarboxylate, HCl
CasNumber: 71486-53-8
MolecularFormula: C7H11ClNO3
MolecularWeight: 193.6281
MdlNumber: MFCD00012769
Smiles: COC(=O)C1CNCCC1=O.[H+].[Cl-]
NscNumber: __
Complexity: 179
Covalently-bondedUnitCount: 2
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AB75917
ChemicalName:
Methyl 4-oxo-3-piperidinecarboxylate, HCl
CasNumber:
71486-53-8
MolecularFormula:
C7H11ClNO3
MolecularWeight:
193.6281
MdlNumber:
MFCD00012769
Smiles:
COC(=O)C1CNCCC1=O.[H+].[Cl-]
NscNumber:
__
Complexity:
179
Covalently-bondedUnitCount:
2
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: AB75918
ChemicalName: Methyl pent-4-enoate
CasNumber: 818-57-5
MolecularFormula: C6H10O2
MolecularWeight: 114.1424
MdlNumber: MFCD03990590
Smiles: COC(=O)CCC=C
NscNumber: __
Complexity: 86.5
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
RotatableBondCount: 4
Xlogp3: 1.2
CatalogNumber:
AB75918
ChemicalName:
Methyl pent-4-enoate
CasNumber:
818-57-5
MolecularFormula:
C6H10O2
MolecularWeight:
114.1424
MdlNumber:
MFCD03990590
Smiles:
COC(=O)CCC=C
NscNumber:
__
Complexity:
86.5
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
RotatableBondCount:
4
Xlogp3:
1.2