Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic Acid - CAS 3813-52-3
Catalog: |
BB023545 |
Product Name: |
Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic Acid |
CAS: |
3813-52-3 |
Synonyms: |
bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid; bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid |
IUPAC Name: | bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid |
Description: | Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic Acid (CAS# 3813-52-3) is a useful research chemical. |
Molecular Weight: | 182.17 |
Molecular Formula: | C9H10O4 |
Canonical SMILES: | C1C2C=CC1C(C2C(=O)O)C(=O)O |
InChI: | InChI=1S/C9H10O4/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h1-2,4-7H,3H2,(H,10,11)(H,12,13) |
InChI Key: | NIDNOXCRFUCAKQ-UHFFFAOYSA-N |
Boiling Point: | 419.8 °C / 760 mmHg |
Melting Point: | 175 °C (dec.)(lit.) |
Purity: | > 98.0 % (GC) (T) |
Density: | 1.2481 (rou gh estimate) |
Appearance: | White to orange to green powder to crystal |
Storage: | Sealed in dry. Room temperature. |
MDL: | MFCD00152680 |
LogP: | 0.59390 |
Refractive Index: | 1.4345 (estimate) |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22172924 | 20120801 | Internal validity of the revised HiMAT for people with neurological conditions | Clinical rehabilitation |
22571773 | 20120101 | Higher levels of mobility are associated with greater societal participation and better quality-of-life | Brain injury |
22210980 | 20110101 | Tests of static balance do not predict mobility performance following traumatic brain injury | Physiotherapy Canada. Physiotherapie Canada |
20473089 | 20100501 | Balance, attention, and dual-task performance during walking after brain injury: associations with falls history | The Journal of head trauma rehabilitation |
20545456 | 20100101 | Further development of the High-level Mobility Assessment Tool (HiMAT) | Brain injury |
Complexity: | 266 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.05790880 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.05790880 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 74.6 Å2 |
Undefined Atom Stereocenter Count: | 4 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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