AB75778
172899-78-4 | Methyl 3-formyl-5-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB75778
ChemicalName
Methyl 3-formyl-5-nitrobenzoate
CasNumber
172899-78-4
MolecularFormula
C9H7NO5
MolecularWeight
209.1556
MdlNumber
MFCD08275105
Smiles
O=Cc1cc(cc(c1)[N+](=O)[O-])C(=O)OC
Complexity
272
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
RotatableBondCount
3
Xlogp3
1.5
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CatalogNumber: AB75778
ChemicalName: Methyl 3-formyl-5-nitrobenzoate
CasNumber: 172899-78-4
MolecularFormula: C9H7NO5
MolecularWeight: 209.1556
MdlNumber: MFCD08275105
Smiles: O=Cc1cc(cc(c1)[N+](=O)[O-])C(=O)OC
Complexity: 272
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AB75778
ChemicalName:
Methyl 3-formyl-5-nitrobenzoate
CasNumber:
172899-78-4
MolecularFormula:
C9H7NO5
MolecularWeight:
209.1556
MdlNumber:
MFCD08275105
Smiles:
O=Cc1cc(cc(c1)[N+](=O)[O-])C(=O)OC
Complexity:
272
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc2c(c1)[nH]cc2C=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc2c(c1)[nH]cc2C=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB75780
ChemicalName: Methyl 3-hydroxy-2-naphthoate
CasNumber: 883-99-8
MolecularFormula: C12H10O3
MolecularWeight: 202.206
MdlNumber: MFCD00004099
Smiles: COC(=O)c1cc2ccccc2cc1O
Complexity: 239
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 3.2
CatalogNumber:
AB75780
ChemicalName:
Methyl 3-hydroxy-2-naphthoate
CasNumber:
883-99-8
MolecularFormula:
C12H10O3
MolecularWeight:
202.206
MdlNumber:
MFCD00004099
Smiles:
COC(=O)c1cc2ccccc2cc1O
Complexity:
239
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)CC(c1cccc(c1)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)CC(c1cccc(c1)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__