Fluorene-4-carboxylic acid - CAS 6954-55-8
Catalog: |
BB033866 |
Product Name: |
Fluorene-4-carboxylic acid |
CAS: |
6954-55-8 |
Synonyms: |
9H-fluorene-4-carboxylic acid |
IUPAC Name: | 9H-fluorene-4-carboxylic acid |
Description: | Fluorene-4-carboxylic acid (CAS# 6954-55-8) is a useful research chemical. |
Molecular Weight: | 210.23 |
Molecular Formula: | C14H10O2 |
Canonical SMILES: | C1C2=CC=CC=C2C3=C(C=CC=C31)C(=O)O |
InChI: | InChI=1S/C14H10O2/c15-14(16)12-7-3-5-10-8-9-4-1-2-6-11(9)13(10)12/h1-7H,8H2,(H,15,16) |
InChI Key: | WJNBLUOXTBTGMB-UHFFFAOYSA-N |
Boiling Point: | 429.4 °C at 760 mmHg |
Purity: | 99+ % |
Appearance: | White to brown solid |
MDL: | MFCD00001112 |
LogP: | 2.95600 |
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 |
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PMID | Publication Date | Title | Journal |
19552441 | 20090722 | A highly reactive p450 model compound I | Journal of the American Chemical Society |
Complexity: | 287 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.068079557 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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