2,5-Dimethoxy-3-nitrobenzoic acid - CAS 17894-26-7
Catalog: |
BB013518 |
Product Name: |
2,5-Dimethoxy-3-nitrobenzoic acid |
CAS: |
17894-26-7 |
Synonyms: |
2,5-dimethoxy-3-nitrobenzoic acid |
IUPAC Name: | 2,5-dimethoxy-3-nitrobenzoic acid |
Description: | 2,5-Dimethoxy-3-nitrobenzoic acid (CAS# 17894-26-7) is a useful research chemical. |
Molecular Weight: | 227.17 |
Molecular Formula: | C9H9NO6 |
Canonical SMILES: | COC1=CC(=C(C(=C1)C(=O)O)OC)[N+](=O)[O-] |
InChI: | InChI=1S/C9H9NO6/c1-15-5-3-6(9(11)12)8(16-2)7(4-5)10(13)14/h3-4H,1-2H3,(H,11,12) |
InChI Key: | QCJROOYLFVYZEP-UHFFFAOYSA-N |
Boiling Point: | 427.5 °C at 760 mmHg |
Solubility: | Other solvents(Soluble) : Methanol |
Appearance: | White to yellow crystal to powder |
MDL: | MFCD00017022 |
LogP: | 1.83340 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CA-2774831-A1 | Method for increasing the nutritional value of rapeseed and rape products with decreased oil content | 20110502 |
CA-2774831-C | Method for increasing the nutritional value of rapeseed and rape products with decreased oil content | 20110502 |
EP-2520176-A1 | Method for increasing the nutritional value of rapeseed and rape products with decreased oil content | 20110502 |
EP-2520176-B1 | Method for increasing the nutritional value of rapeseed and rape products with decreased oil content | 20110502 |
US-2012282369-A1 | Method for increasing the nutritional value of rapeseed and rape products with decreased oil content | 20110502 |
Complexity: | 276 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.04298701 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.04298701 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 102 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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