AA86898
16498-81-0 | 2-Methoxynicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AA86898
ChemicalName
2-Methoxynicotinic acid
CasNumber
16498-81-0
MolecularFormula
C7H7NO3
MolecularWeight
153.1354
MdlNumber
MFCD00085110
Smiles
COc1ncccc1C(=O)O
Complexity
149
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.7
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CatalogNumber: AA86898
ChemicalName: 2-Methoxynicotinic acid
CasNumber: 16498-81-0
MolecularFormula: C7H7NO3
MolecularWeight: 153.1354
MdlNumber: MFCD00085110
Smiles: COc1ncccc1C(=O)O
Complexity: 149
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.7
CatalogNumber:
AA86898
ChemicalName:
2-Methoxynicotinic acid
CasNumber:
16498-81-0
MolecularFormula:
C7H7NO3
MolecularWeight:
153.1354
MdlNumber:
MFCD00085110
Smiles:
COc1ncccc1C(=O)O
Complexity:
149
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)c1cc2c(n1C)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)c1cc2c(n1C)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA86900
ChemicalName: 6-Nitro-2,3-dihydro-1,4-benzodioxine
CasNumber: 16498-20-7
MolecularFormula: C8H7NO4
MolecularWeight: 181.1455
MdlNumber: MFCD00088689
Smiles: [O-][N+](=O)c1ccc2c(c1)OCCO2
Complexity: 203
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.3
CatalogNumber:
AA86900
ChemicalName:
6-Nitro-2,3-dihydro-1,4-benzodioxine
CasNumber:
16498-20-7
MolecularFormula:
C8H7NO4
MolecularWeight:
181.1455
MdlNumber:
MFCD00088689
Smiles:
[O-][N+](=O)c1ccc2c(c1)OCCO2
Complexity:
203
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOP(=O)(Oc1ccc(cc1)Br)OCC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOP(=O)(Oc1ccc(cc1)Br)OCC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__