alpha-Methyl-5-methoxy-2-nitro-4-(2-propyn-1-yloxy)benzyl Alcohol - CAS 1255792-05-2
Catalog: |
BB006143 |
Product Name: |
alpha-Methyl-5-methoxy-2-nitro-4-(2-propyn-1-yloxy)benzyl Alcohol |
CAS: |
1255792-05-2 |
Synonyms: |
1-(5-methoxy-2-nitro-4-prop-2-ynoxyphenyl)ethanol; 1-(5-methoxy-2-nitro-4-prop-2-ynoxyphenyl)ethanol |
IUPAC Name: | 1-(5-methoxy-2-nitro-4-prop-2-ynoxyphenyl)ethanol |
Description: | alpha-Methyl-5-methoxy-2-nitro-4-(2-propyn-1-yloxy)benzyl Alcohol (CAS# 1255792-05-2 ) is a useful research chemical. |
Molecular Weight: | 251.24 |
Molecular Formula: | C12H13NO5 |
Canonical SMILES: | CC(C1=CC(=C(C=C1[N+](=O)[O-])OCC#C)OC)O |
InChI: | InChI=1S/C12H13NO5/c1-4-5-18-12-7-10(13(15)16)9(8(2)14)6-11(12)17-3/h1,6-8,14H,5H2,2-3H3 |
InChI Key: | DACNMURXMLMAPR-UHFFFAOYSA-N |
LogP: | 2.19190 |
Publication Number | Title | Priority Date |
US-2019025330-A1 | 3d-exoquant method for the analysis of surface molecules and quantification of tissue-specific exosomes in biological fluids | 20160114 |
JP-2010260831-A | Photodegradable heterobivalent crosslinking agent | 20090508 |
JP-5557229-B2 | Photodegradable heterobivalent crosslinking agent | 20090508 |
Complexity: | 331 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.07937252 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.07937252 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 84.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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