1,3-Cyclopentanediol, mixture of cis and trans - CAS 59719-74-3
Catalog: |
BB030468 |
Product Name: |
1,3-Cyclopentanediol, mixture of cis and trans |
CAS: |
59719-74-3 |
Synonyms: |
cyclopentane-1,3-diol |
IUPAC Name: | cyclopentane-1,3-diol |
Description: | 1,3-Cyclopentanediol, mixture of cis and trans (CAS# 59719-74-3) is a useful research chemical. |
Molecular Weight: | 102.13 |
Molecular Formula: | C5H10O2 |
Canonical SMILES: | C1CC(CC1O)O |
InChI: | InChI=1S/C5H10O2/c6-4-1-2-5(7)3-4/h4-7H,1-3H2 |
InChI Key: | NUUPJBRGQCEZSI-UHFFFAOYSA-N |
Boiling Point: | 80-85 °C0.1 mmHg (lit.) |
Melting Point: | 40 °C (lit.) |
Flash Point: | 235.4 °CF |
Purity: | 95 % |
Density: | 1.094 g/cm3 |
Appearance: | Clear colorless to slightly yellow liquid |
Storage: | 0-6 °C |
LogP: | -0.10790 |
Refractive Index: | n20/D 1.484 (lit.) |
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PMID | Publication Date | Title | Journal |
15959861 | 20050819 | Diastereoselective synthesis of five- and seven-membered rings by [2+2+1], [3+2], [3+2+2], and [4+3] carbocyclization reactions of beta-substituted (alkenyl)(methoxy)carbene complexes with methyl ketone lithium enolates | Chemistry (Weinheim an der Bergstrasse, Germany) |
Complexity: | 55.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 102.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 102.068079557 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 40.5 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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