cis-Pinonic acid - CAS 61826-55-9
Catalog: |
BB031273 |
Product Name: |
cis-Pinonic acid |
CAS: |
61826-55-9 |
Synonyms: |
2-(3-acetyl-2,2-dimethylcyclobutyl)acetic acid |
IUPAC Name: | 2-(3-acetyl-2,2-dimethylcyclobutyl)acetic acid |
Description: | cis-Pinonic acid (CAS# 61826-55-9 ) is a useful research chemical. |
Molecular Weight: | 184.23 |
Molecular Formula: | C10H16O3 |
Canonical SMILES: | CC(=O)C1CC(C1(C)C)CC(=O)O |
InChI: | InChI=1S/C10H16O3/c1-6(11)8-4-7(5-9(12)13)10(8,2)3/h7-8H,4-5H2,1-3H3,(H,12,13) |
InChI Key: | SIZDUQQDBXJXLQ-UHFFFAOYSA-N |
Boiling Point: | 305.2 ℃ at 760 mmHg |
Melting Point: | 104-107 ℃(lit.) |
Purity: | 95 % |
MDL: | MFCD00001327 |
LogP: | 1.71240 |
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 |
22334151 | 20120301 | Use of denuder/filter apparatus to investigate terpene ozonolysis | Journal of environmental monitoring : JEM |
21925663 | 20120224 | Ionic liquid-functionalized silica for selective solid-phase extraction of organic acids, amines and aldehydes | Journal of chromatography. A |
22200311 | 20120203 | Application of hollow fiber liquid phase microextraction for pinic acid and pinonic acid analysis from organic aerosols | Analytica chimica acta |
22199577 | 20111201 | catena-Poly[[chlorido(1,10-phenanthro-line)copper(II)]-μ-{2-[(1S,3S)-3-acetyl-2,2-dimethyl-cyclo-but-yl]acetato}] | Acta crystallographica. Section E, Structure reports online |
21347460 | 20110401 | Temperature effect of tapered element oscillating microbalance (TEOM) system measuring semi-volatile organic particulate matter | Journal of environmental monitoring : JEM |
Complexity: | 243 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.109944368 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.109944368 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 54.4 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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