AE99809
186593-26-0 | 5-nitropyridin-3-ol
Manufacturer: A2B Chem
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CatalogNumber
AE99809
ChemicalName
5-nitropyridin-3-ol
CasNumber
186593-26-0
MolecularFormula
C5H4N2O3
MolecularWeight
140.0969
MdlNumber
MFCD04114224
Smiles
[O-][N+](=O)c1cc(O)cnc1
Complexity
133
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
Xlogp3
0.3
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CatalogNumber: AE99809
ChemicalName: 5-nitropyridin-3-ol
CasNumber: 186593-26-0
MolecularFormula: C5H4N2O3
MolecularWeight: 140.0969
MdlNumber: MFCD04114224
Smiles: [O-][N+](=O)c1cc(O)cnc1
Complexity: 133
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
Xlogp3: 0.3
CatalogNumber:
AE99809
ChemicalName:
5-nitropyridin-3-ol
CasNumber:
186593-26-0
MolecularFormula:
C5H4N2O3
MolecularWeight:
140.0969
MdlNumber:
MFCD04114224
Smiles:
[O-][N+](=O)c1cc(O)cnc1
Complexity:
133
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
Xlogp3:
0.3
CatalogNumber: AE99810
ChemicalName: Heptane-2,5-dione
CasNumber: 1703-51-1
MolecularFormula: C7H12O2
MolecularWeight: 128.169
MdlNumber: MFCD07437947
Smiles: CCC(=O)CCC(=O)C
Complexity: 116
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
Xlogp3: __
CatalogNumber:
AE99810
ChemicalName:
Heptane-2,5-dione
CasNumber:
1703-51-1
MolecularFormula:
C7H12O2
MolecularWeight:
128.169
MdlNumber:
MFCD07437947
Smiles:
CCC(=O)CCC(=O)C
Complexity:
116
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cn1)NC(=O)OC(C)(C)C
Complexity: 238
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: 1.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cn1)NC(=O)OC(C)(C)C
Complexity:
238
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN1C(=CC=Cc2cc[n+](c3c2cccc3)CCC[N+](CCC[N+](CCC[n+]2ccc(c3c2cccc3)/C=C/C=C2/Oc3c(N2C)cccc3)(C)C)(C)C)Oc2c1cccc2.[I-].[I-].[I-].[I-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN1C(=CC=Cc2cc[n+](c3c2cccc3)CCC[N+](CCC[N+](CCC[n+]2ccc(c3c2cccc3)/C=C/C=C2/Oc3c(N2C)cccc3)(C)C)(C)C)Oc2c1cccc2.[I-].[I-].[I-].[I-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
__