AB75656
5081-42-5 | Methyl 2-nitro-3,4,5-trimethoxybenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB75656
ChemicalName
Methyl 2-nitro-3,4,5-trimethoxybenzoate
CasNumber
5081-42-5
MolecularFormula
C11H13NO7
MolecularWeight
271.2234
MdlNumber
MFCD00007097
Smiles
COC(=O)c1cc(OC)c(c(c1[N+](=O)[O-])OC)OC
NscNumber
20282
Complexity
330
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
7
RotatableBondCount
5
Xlogp3
1.5
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CatalogNumber: AB75656
ChemicalName: Methyl 2-nitro-3,4,5-trimethoxybenzoate
CasNumber: 5081-42-5
MolecularFormula: C11H13NO7
MolecularWeight: 271.2234
MdlNumber: MFCD00007097
Smiles: COC(=O)c1cc(OC)c(c(c1[N+](=O)[O-])OC)OC
NscNumber: 20282
Complexity: 330
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 7
RotatableBondCount: 5
Xlogp3: 1.5
CatalogNumber:
AB75656
ChemicalName:
Methyl 2-nitro-3,4,5-trimethoxybenzoate
CasNumber:
5081-42-5
MolecularFormula:
C11H13NO7
MolecularWeight:
271.2234
MdlNumber:
MFCD00007097
Smiles:
COC(=O)c1cc(OC)c(c(c1[N+](=O)[O-])OC)OC
NscNumber:
20282
Complexity:
330
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
7
RotatableBondCount:
5
Xlogp3:
1.5
CatalogNumber: AB75657
ChemicalName: Methyl 2-nitrobenzoate
CasNumber: 606-27-9
MolecularFormula: C8H7NO4
MolecularWeight: 181.1455
MdlNumber: MFCD00007136
Smiles: COC(=O)c1ccccc1[N+](=O)[O-]
NscNumber: 4136
Complexity: 211
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 1.7
CatalogNumber:
AB75657
ChemicalName:
Methyl 2-nitrobenzoate
CasNumber:
606-27-9
MolecularFormula:
C8H7NO4
MolecularWeight:
181.1455
MdlNumber:
MFCD00007136
Smiles:
COC(=O)c1ccccc1[N+](=O)[O-]
NscNumber:
4136
Complexity:
211
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCC#CC(=O)OC
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCC#CC(=O)OC
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB75659
ChemicalName: Methyl 2-oxo-1-cycloheptanecarboxylate
CasNumber: 52784-32-4
MolecularFormula: C9H14O3
MolecularWeight: 170.20566000000005
MdlNumber: MFCD00010809
Smiles: COC(=O)C1CCCCCC1=O
NscNumber: 148967
Complexity: 186
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AB75659
ChemicalName:
Methyl 2-oxo-1-cycloheptanecarboxylate
CasNumber:
52784-32-4
MolecularFormula:
C9H14O3
MolecularWeight:
170.20566000000005
MdlNumber:
MFCD00010809
Smiles:
COC(=O)C1CCCCCC1=O
NscNumber:
148967
Complexity:
186
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
1.6