Pentadecanedioic Acid - CAS 1460-18-0
Catalog: |
BB010031 |
Product Name: |
Pentadecanedioic Acid |
CAS: |
1460-18-0 |
Synonyms: |
pentadecanedioic acid; pentadecanedioic acid |
IUPAC Name: | pentadecanedioic acid |
Description: | Pentadecanedioic Acid (CAS# 1460-18-0) is a useful research chemical compound. |
Molecular Weight: | 272.38 |
Molecular Formula: | C15H28O4 |
Canonical SMILES: | C(CCCCCCC(=O)O)CCCCCCC(=O)O |
InChI: | InChI=1S/C15H28O4/c16-14(17)12-10-8-6-4-2-1-3-5-7-9-11-13-15(18)19/h1-13H2,(H,16,17)(H,18,19) |
InChI Key: | BTZVDPWKGXMQFW-UHFFFAOYSA-N |
Boiling Point: | 445.8 °C at 760 mmHg |
MDL: | MFCD00039534 |
LogP: | 4.22690 |
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 |
16042446 | 20050802 | STM study on quinacridone derivative assemblies: modulation of the two-dimensional structure by coadsorption with dicarboxylic acids | Langmuir : the ACS journal of surfaces and colloids |
Complexity: | 214 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 272.19875937 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 272.19875937 |
Rotatable Bond Count: | 14 |
Topological Polar Surface Area: | 74.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.8 |
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