3-(3-Nitro-1H-pyrazol-1-yl)propan-1-ol - CAS 1003011-37-7
Catalog: |
BB048283 |
Product Name: |
3-(3-Nitro-1H-pyrazol-1-yl)propan-1-ol |
CAS: |
1003011-37-7 |
Synonyms: |
3-(3-nitropyrazolyl)propan-1-ol; 3-(3-Nitro-1H-pyrazol-1-yl)-1-propanol; 3-nitro-1H-Pyrazole-1-propanol |
IUPAC Name: | 3-(3-nitropyrazol-1-yl)propan-1-ol |
Description: | 3-(3-Nitro-1H-pyrazol-1-yl)propan-1-ol (CAS# 1003011-37-7 ) is a useful research chemical. |
Molecular Weight: | 171.15 |
Molecular Formula: | C6H9N3O3 |
Canonical SMILES: | C1=CN(N=C1[N+](=O)[O-])CCCO |
InChI: | InChI=1S/C6H9N3O3/c10-5-1-3-8-4-2-6(7-8)9(11)12/h2,4,10H,1,3,5H2 |
InChI Key: | AUUMTEXAPPNCJB-UHFFFAOYSA-N |
Boiling Point: | 361.4±22.0 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.06439116 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.06439116 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 83.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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