4-Propoxybenzaldehyde - CAS 5736-85-6
Catalog: |
BB029668 |
Product Name: |
4-Propoxybenzaldehyde |
CAS: |
5736-85-6 |
Synonyms: |
4-propoxybenzaldehyde |
IUPAC Name: | 4-propoxybenzaldehyde |
Description: | 4-Propoxybenzaldehyde (CAS# 5736-85-6) is a useful research chemical. |
Molecular Weight: | 164.20 |
Molecular Formula: | C10H12O2 |
Canonical SMILES: | CCCOC1=CC=C(C=C1)C=O |
InChI: | InChI=1S/C10H12O2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h3-6,8H,2,7H2,1H3 |
InChI Key: | FGXZWMCBNMMYPL-UHFFFAOYSA-N |
Boiling Point: | 129-130 ℃ / 10 mmHg |
Purity: | 98 % |
Density: | 1.039 g/mL at 25 ℃ |
MDL: | MFCD00014134 |
LogP: | 2.28790 |
Refractive Index: | 1.5460 |
GHS Hazard Statement: | H302 (100%): 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 |
17912351 | 20071003 | An expanded set of amino acid analogs for the ribosomal translation of unnatural peptides | PloS one |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.083729621 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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